HistCite - papers citing Rudy Pariser

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#	Date / Author / Journal	LCS	GCS	LCR	CR
2002
4501	4501 Krikunova M, Kummrow A, Voigt B, Rini M, Lokstein H, et al. Fluorescence of native and carotenoid-depleted LH2 from Chromatium minutissimum, originating from simultaneous two-photon absorption in the spectral range of the presumed (optically 'dark') S-1 state of carotenoids FEBS LETTERS. 2002 SEP 25; 528 (1-3): 227-229	0	9	5	25
4502	4502 Kabir MH, Kasahara S, Demtroder W, Tatamitani Y, Okubo M, et al. Doppler-free high resolution laser spectroscopies of the naphthalene molecule CHEMICAL PHYSICS. 2002 OCT 1; 283 (1-2): 237-247	2	4	3	23
4503	4503 Shapley WA, Reimers JR, Hush NS INDO/S parameters for gold INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2002 OCT 5; 90 (1): 424-438	0	4	9	50
4504	4504 Doerksen RJ, Thakkar AJ Bond orders in heteroaromatic rings INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2002 OCT 15; 90 (2): 534-540	0	10	3	40
4505	4505 Harcourt RD A note on Wiberg-type atomic valencies for a 3-electron 3-centre valence bond structure JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 2002 OCT 31; 617: 177-180	1	3	4	14
4506	4506 Krikunova MA, Leupold D, Rini M, Voigt B, Moskalenko AA, et al. Two-photon excitation fluorescence spectrum of the light-harvesting complex LH2 from Chromatium minutissimum within the 650-745 nm range is determined by two-photon absorption of bacteriochlorophyll rather than of carotenoids BIOFIZIKA. 2002 NOV-DEC; 47 (6): 1015-1020	0	2	6	25
4507	4507 Li SH, Ma J, Jiang YS Kekule-based valence bond model. I. The ground-state properties of conjugated pi-systems CHINESE JOURNAL OF CHEMISTRY. 2002 NOV; 20 (11): 1168-1179	0	2	7	51
4508	4508 Van Houten J A century of chemical dynamics traced through the nobel prizes - 1998: Walter Kohn and John Pople JOURNAL OF CHEMICAL EDUCATION. 2002 NOV; 79 (11): 1297-+	0	2	3	38
4509	4509 Forner W, Utz W Correlated ab initio and density functional calculations on small model molecules for the unit cell of polyparaphenylene in its aromatic and quinoidal forms: equilibrium geometries and vibrational spectra JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 2002 NOV 15; 618 (1-2): 65-84	4	9	15	116
4510	4510 Bursill RJ, Barford W Large-scale numerical investigation of excited states in poly(para- phenylene) PHYSICAL REVIEW B. 2002 NOV 15; 66 (20): Art. No. 205112	2	8	6	52
#	Date / Author / Journal	LCS	GCS	LCR	CR
4511	4511 McClure DS Luminescence and spectroscopy JOURNAL OF LUMINESCENCE. 2002 DEC; 100 (1-4): 47-55	0	2	2	59
4512	4512 Wu J, Schmalz TG, Klein DJ An extended Heisenberg model for conjugated hydrocarbons JOURNAL OF CHEMICAL PHYSICS. 2002 DEC 8; 117 (22): 9977-9982	2	7	7	20
4513	4513 Podeszwa R, Stolarczyk LZ Multiple solutions of coupled-cluster equations for PPP model of [10]annulene CHEMICAL PHYSICS LETTERS. 2002 DEC 10; 366 (3-4): 426-432	3	4	2	16
4514	4514 Cho HS, Jeong DH, Cho S, Kim D, Matsuzaki Y, et al. Photophysical properties of porphyrin tapes JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 2002 DEC 11; 124 (49): 14642-14654	2	110	5	56
2003
4515	4515 Zhu ZH, Lu GQ, Finnerty J, Yang RT Electronic structure methods applied to gas-carbon reactions CARBON. 2003; 41 (4): 635-658	0	34	3	92
4516	4516 Sandorfy C Remembering the old times of theoretical chemistry CHEMICKE LISTY. 2003; 97 (4): 182-191	0	2	9	147
4517	4517 Brunaud G, Castet F, Fritsch A, Ducasse L Parametrization of an effective correlated hamiltonian for hole transfer in large DNA strands PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 2003; 5 (10): 2104-2113	1	13	5	64
4518	4518 Ito H An extended Fano-DeVoe polarizability theory similar to the Bayley- Nielsen-Schellman secular matrix method: CD calculations of polypeptides having alpha-helix, beta-sheet, and beta-turn structures BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 2003 JAN; 76 (1): 59-71	0	1	5	61
4519	4519 Heinecke E, Hartmann D, Hese A Laser spectroscopy of free pentacene molecules (II): Stark effect of the vibrationless S-1 <- S-0 transition JOURNAL OF CHEMICAL PHYSICS. 2003 JAN 1; 118 (1): 113-120	0	3	2	43
4520	4520 Lopez-Sandoval R, Pastor GM Electronic properties of the dimerized one-dimensional Hubbard model using lattice density-functional theory PHYSICAL REVIEW B. 2003 JAN 15; 67 (3): Art. No. 035115	3	9	4	51
#	Date / Author / Journal	LCS	GCS	LCR	CR
4521	4521 Tandon K, Ramasesha S, Mazumdar S Electron correlation effects in electron-hole recombination in organic light-emitting diodes PHYSICAL REVIEW B. 2003 JAN 15; 67 (4): Art. No. 045109	3	38	7	42
4522	4522 Korona T, Werner HJ Local treatment of electron excitations in the EOM-CCSD method JOURNAL OF CHEMICAL PHYSICS. 2003 FEB 15; 118 (7): 3006-3019	1	68	4	75
4523	4523 Dietz F, Staykov A, Karabunarliev S, Tyutyulkov N Photoswitching of the magnetic one-dimensional pi-electron properties of systems - III. Photochromic polymers with polymethine radicals in the elementary units JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY. 2003 FEB 20; 155 (1-3): 21-27	0	3	6	31
4524	4524 Darling GR, Kosloff R, Zeiri Y Time-dependent quantum calculations of negative ion formation in scattering of atoms from alkali-halide surfaces SURFACE SCIENCE. 2003 MAR 20; 528 (1-3): 84-90	0	1	2	32
4525	4525 Gupta AK, Ryder J, Summerbell RC Comparison of efficacy criteria across onychomycosis trials: need for standardization INTERNATIONAL JOURNAL OF DERMATOLOGY. 2003 APR; 42 (4): 312-315	1	5	0	51
4526	4526 O'Brien TA, Davidson ER Semiempirical local spin: Theory and implementation of the ZILSH method for predicting Heisenberg exchange constants of polynuclear transition metal complexes INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2003 APR 5; 92 (3): 294-325	0	34	12	115
4527	4527 Pati SK Transport in molecular wire with long-range Coulomb interactions: A mean-field approach JOURNAL OF CHEMICAL PHYSICS. 2003 APR 8; 118 (14): 6529-6535	3	15	4	43
4528	4528 Liang WZ, Yokojima S, Chen GH Localized-density-matrix calculation of circular dichroism spectrum of optically active molecule CHEMICAL PHYSICS. 2003 APR 15; 289 (2-3): 175-189	0	3	7	55
4529	4529 Elstner M, Cui Q, Munih P, Kaxiras E, Frauenheim T, et al. Modeling zinc in biomolecules with the self consistent charge-density functional tight binding (SCC-DFTB) method: Applications to structural and energetic analysis JOURNAL OF COMPUTATIONAL CHEMISTRY. 2003 APR 15; 24 (5): 565-581	3	77	5	119
4530	4530 Geerlings P, De Proft F, Langenaeker W Conceptual density functional theory CHEMICAL REVIEWS. 2003 MAY; 103 (5): 1793-1873	3	860	22	810
#	Date / Author / Journal	LCS	GCS	LCR	CR
4531	4531 Galunov NZ, Krasovitskii BM, Lyubenko ON, Yermolenko IG, Patsenker LD, et al. Spectral properties and applications of the new 7H- benzo[de]pyrazolo[5,1-a]isoquinolin-7-ones JOURNAL OF LUMINESCENCE. 2003 MAY; 102: 119-124	0	3	2	16
4532	4532 Windsor MW Flash photolysis and triplet states and free radicals in solution PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES. 2003 MAY; 2 (5): 455-458	0	1	5	26
4533	4533 Pasquinelli MA, Yaron D Quantum chemical investigation of biexcitons in conjugated polymers JOURNAL OF CHEMICAL PHYSICS. 2003 MAY 1; 118 (17): 8082-8092	1	6	5	54
4534	4534 Park SY, Oh SW Synthesis of merocyanines analogues based on the pyrazolin-5-one system BULLETIN OF THE KOREAN CHEMICAL SOCIETY. 2003 MAY 20; 24 (5): 569-572	0	2	2	11
4535	4535 Morikawa T, Narita S, Shibuya T Local confinement of unpaired electrons in non-Kekulean benzenoid hydrocarbons CHEMICAL PHYSICS LETTERS. 2003 JUN 25; 375 (1-2): 191-195	1	3	2	17
4536	4536 Shukla A, Ghosh H, Mazumdar S Theory of excited-state absorption in phenylene-based pi-conjugated polymers PHYSICAL REVIEW B. 2003 JUN 27; 67 (24): Art. No. 245203	7	26	11	61
4537	4537 Gupta AK, Ryder JE The use of oral antifungal agents to treat onychomycosis DERMATOLOGIC CLINICS. 2003 JUL; 21 (3): 469-+	1	14	0	71
4538	4538 Gupta AK, Ryder JE, Bluhm R, Johnson A, Summerbell RC Onychomycosis: Quality of studies JOURNAL OF CUTANEOUS MEDICINE AND SURGERY. 2003 JUL-AUG; 7 (4): 312-316	0	3	0	58
4539	4539 Podeszwa R, Stolarczyk LZ, Jankowski K, Rubiniec K Multiple solutions of coupled-cluster doubles equations for the Pariser-Parr-Pople model of benzene THEORETICAL CHEMISTRY ACCOUNTS. 2003 JUL; 109 (6): 309-315	2	2	8	31
4540	4540 Inai Y, Ousaka N, Okabe T Mechanism for the noncovalent chiral domino effect: New paradigm for the chiral role of the N-terminal segment in a 3(10)-helix JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 2003 JUL 9; 125 (27): 8151-8162	0	35	5	151
#	Date / Author / Journal	LCS	GCS	LCR	CR
4541	4541 Rondonuwu FS, Watanabe Y, Fujii R, Koyama Y A first detection of singlet to triplet conversion from the 1(1)B(u)(-) to the 1(3)A(g) state and triplet internal conversion from the 1(3)A(g) to the 1(3)B(u) state in carotenoids: dependence on the conjugation length CHEMICAL PHYSICS LETTERS. 2003 JUL 24; 376 (3-4): 292-301	11	42	8	26
4542	4542 Yatsenko AV Molecular crystals: the crystal field effect on molecular electronic structure JOURNAL OF MOLECULAR MODELING. 2003 AUG; 9 (4): 207-216	0	6	9	94
4543	4543 Tyutyulkov N, Mullen K, Baumgarten M, Ivanova A, Tadjer A Is 2D graphite an ultimate large hydrocarbon? III. Structure and energy spectra of large polybenzenoid hydrocarbons with different edge structures SYNTHETIC METALS. 2003 AUG 8; 139 (1): 99-107	1	7	8	50
4544	4544 Dallakyan S, Chandross M, Mazumdar S Infrared light emission from pi-conjugated polymers: A diagrammatic exciton basis valence bond theory PHYSICAL REVIEW B. 2003 AUG 15; 68 (7): Art. No. 075204	1	3	6	27
4545	4545 Tada T, Yoshizawa K Quantum transport effects in nanosized graphite sheets. II. Enhanced transport effects by heteroatoms JOURNAL OF PHYSICAL CHEMISTRY B. 2003 AUG 28; 107 (34): 8789-8793	2	16	2	46
4546	4546 Randic M Aromaticity of polycyclic conjugated hydrocarbons CHEMICAL REVIEWS. 2003 SEP; 103 (9): 3449-3605	6	281	20	973
4547	4547 Harcourt RD Revisions to expressions for atomic valencies for 3-electron 3-centre and 4-electron 3-centre valence bond structures JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 2003 SEP 5; 634: 265-269	0	4	5	15
4548	4548 Nakayama N, Nagashima U Semiempirical calculation of electronic spectra of organic compounds by using the improved method of new-gamma electron repulsion integral JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 2003 SEP 30; 636: 39-47	1	3	5	35
4549	4549 Gonzalez-Luque R, Serrano-Andres L, Merchan M, Fulscher MP Theoretical characterization of the absorption spectra of phenanthrene and its radical cation THEORETICAL CHEMISTRY ACCOUNTS. 2003 OCT; 110 (3): 224-232	1	3	18	68
4550	4550 Staykov A, Gehrgel L, Dietz F, Tyutyulkov N Is 2-D graphite an ultimate large hydrocarbon? IV. Structure and energy spectra of large polycyclic aromatic hydrocarbons with different symmetry ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES. 2003 OCT; 58 (10): 965-970	0	0	4	28
#	Date / Author / Journal	LCS	GCS	LCR	CR
4551	4551 Oszwaldowski R, Vazquez H, Pou P, Ortega J, Perez R, et al. Exchange-correlation energy in the orbital occupancy method: electronic structure of organic molecules JOURNAL OF PHYSICS-CONDENSED MATTER. 2003 OCT 1; 15 (38): S2665-S2678	3	18	2	43
4552	4552 Ramasesha S, Mazumdar S, Tandon K, Das M Electron correlation effects in electron-hole recombination and triplet-triplet scattering in organic light emitting diodes SYNTHETIC METALS. 2003 OCT 9; 139 (3): 917-920	1	2	4	13
4553	4553 Kobayashi N, Ogata H, Nonaka N, Luk'yanets EA Effect of peripheral substitution on the electronic absorption and fluorescence spectra of metal-free and zinc phthalocyanines CHEMISTRY-A EUROPEAN JOURNAL. 2003 OCT 17; 9 (20): 5123-5134	1	111	6	55
4554	4554 Ansarifar A, Nijhawan R, Nanapoolsin T, Song M Reinforcing effect of silica and silane fillers on the properties of some natural rubber vulcanizates RUBBER CHEMISTRY AND TECHNOLOGY. 2003 NOV-DEC; 76 (5): 1290-1310	0	10	1	28
4555	4555 Nagano Y, Ikoma T, Akiyama K, Tero-Kubota S Symmetry switching of the fluorescent excited state in alpha,omega- diphenylpolyynes JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 2003 NOV 19; 125 (46): 14103-14112	0	14	9	112
4556	4556 Torrens F Structural, chemical topological, electrotopological and electronic structure hypotheses COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING. 2003 DEC; 6 (8): 801-809	0	7	2	179
4557	4557 Wu J, Schmalz TG, Klein DJ An extended Heisenberg model for conjugated hydrocarbons. II. Kekule basis JOURNAL OF CHEMICAL PHYSICS. 2003 DEC 1; 119 (21): 11011-11016	2	6	4	25
2004
4558	4558 Nagao Y, Shimokoshi E, Kozawa K Synthesis and properties of aza-perylenedicarboximide derivative HETEROCYCLES. 2004 JAN 1; 62: 821-826	0	3	2	14
4559	4559 Murakami A, Kobayashi T, Goldberg A, Nakamura S CASSCF and CASPT2 studies on the structures, transition energies, and dipole moments of ground and excited states for azulene JOURNAL OF CHEMICAL PHYSICS. 2004 JAN 15; 120 (3): 1245-1252	3	12	8	27
4560	4560 Fujii R, Fujino T, Inaba T, Nagae H, Koyama Y Internal conversion of 1B(u)(+) -> 1B(u)(-) -> 2A(g)(-) and fluorescence from the 1B(u)(-) state in all-trans-neurosporene as probed by up-conversion spectroscopy CHEMICAL PHYSICS LETTERS. 2004 JAN 19; 384 (1-3): 9-15	1	16	7	20
#	Date / Author / Journal	LCS	GCS	LCR	CR
4561	4561 Ansarifar A, Lim HP, Nijhawan R Assessment of the effect of a bifunctional organosilane on the bound rubber and properties of some natural rubber compounds INTERNATIONAL JOURNAL OF ADHESION AND ADHESIVES. 2004 FEB; 24 (1): 9-22	0	20	1	23
4562	4562 Lopez-Sandoval R, Pastor GM Interaction-energy functional for lattice density functional theory: Applications to one-, two-, and three-dimensional Hubbard models PHYSICAL REVIEW B. 2004 FEB; 69 (8): Art. No. 085101	2	7	5	43
4563	4563 Ruette F, Sanchez M, Mendoza C, Sierraalta A, Martorell G, et al. Calculation of one-center integrals in parametric methods using simulated annealing and simplex methods INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2004 FEB 5; 96 (4): 303-311	0	9	6	36
4564	4564 Das A, Naskar N, Basu DK Thiophosphoryl disulfides as crosslinking agents for chloroprene rubber JOURNAL OF APPLIED POLYMER SCIENCE. 2004 FEB 5; 91 (3): 1913-1919	1	6	1	24
4565	4565 Kobayashi N, Ogata H Some properties and molecular orbitals of planar heterodinuclear phthalocyanines EUROPEAN JOURNAL OF INORGANIC CHEMISTRY. 2004 FEB 20; (4): 906-914	0	21	9	50
4566	4566 Gupta AK, Ryder JE, Johnson AM Cumulative meta-analysis of systemic antifungal agents for the treatment of onychomycosis BRITISH JOURNAL OF DERMATOLOGY. 2004 MAR; 150 (3): 537-544	2	30	1	83
4567	4567 Chiu HC, Hsiue T, Chen WY FTIR-ATR measurements of the ionization extent of acrylic acid within copolymerized methacrylated dextran/acrylic acid networks and its relation with pH/salt concentration-induced equilibrium swelling POLYMER. 2004 MAR 1; 45 (5): 1627-1636	0	14	6	35
4568	4568 Tyutyulkov N, Ivanov N, Mullen K, Staykov A, Dietz F Energy spectra of one-dimensional stacks of polycyclic aromatic hydrocarbons without defects JOURNAL OF PHYSICAL CHEMISTRY B. 2004 APR 8; 108 (14): 4275-4282	0	8	8	49
4569	4569 Fleischhauer J, Howeler U, Spanget-Larsen J, Raabe G, Michl J Magnetic circular dichroism of nonaromatic cyclic pi-electron systems. 5. Biphenylene and its aza analogues JOURNAL OF PHYSICAL CHEMISTRY A. 2004 APR 15; 108 (15): 3225-3234	2	10	17	63
4570	4570 Chen SC, Wu YC, Mi FL, Lin YH, Yu LC, et al. A novel pH-sensitive hydrogel composed of N,O-carboxymethyl chitosan and alginate cross-linked by genipin for protein drug delivery JOURNAL OF CONTROLLED RELEASE. 2004 APR 28; 96 (2): 285-300	1	206	1	40
#	Date / Author / Journal	LCS	GCS	LCR	CR
4571	4571 Koyama Y, Rondonuwu FS, Fujii R, Watanabe Y Light-harvesting function of carotenoids in photo-synthesis: The roles of the newly found 1(1)B(u)(-) state BIOPOLYMERS. 2004 MAY-JUN; 74 (1-2): 2-18	8	44	10	37
4572	4572 Brey WS, Richardson DW, West J NMR spectra of 1,3,5-triazines with fluorinated substituents JOURNAL OF FLUORINE CHEMISTRY. 2004 MAY; 125 (5): 755-761	0	3	2	18
4573	4573 Enomoto S, Kumagai K, Tamura T, Hasegawa M, Nakada K, et al. NMR and MO studies on the molecular structure of a fluoranthene-benzene complex MONATSHEFTE FUR CHEMIE. 2004 MAY; 135 (5): 471-481	0	0	7	26
4574	4574 Golovanov IB, Zhenodarova SM Structure-property correlation: XVI.(1) - Linear molecules RUSSIAN JOURNAL OF GENERAL CHEMISTRY. 2004 MAY; 74 (5): 701-705	0	0	1	15
4575	4575 Dietz F, Mullen K, Baumgarten M, Georgiev V, Tyutyulkov N Structure and properties of non-classical polymers. XIV. Heteronuclear 1-D polymers with 2-azaphenalenyl radicals CHEMICAL PHYSICS LETTERS. 2004 MAY 1; 389 (1-3): 135-139	0	2	2	25
4576	4576 Devaux A, Minkowski C, Calzaferri G Electronic and vibrational properties of fluorenone in the channels of zeolite L CHEMISTRY-A EUROPEAN JOURNAL. 2004 MAY 17; 10 (10): 2391-2408	0	18	7	46
4577	4577 Forner W, Badawi HM Infrared and Raman spectra of polyparaphenylene dimers in their aromatic and quinoidal forms for the detection of bipolarons in the charge transport of conducting polymer samples JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 2004 MAY 31; 677 (1-3): 179-198	0	1	8	50
4578	4578 Zhu BK, Xu YY, Wei XZ, Xu ZK Synthesis and photoconductive characteristics of biphenylporphyrin- containing poly(amic acid)s and polyimides POLYMER INTERNATIONAL. 2004 JUN; 53 (6): 708-715	0	2	1	22
4579	4579 Kuchanov S, Slot H, Stroeks A Development of a quantitative theory of polycondensation PROGRESS IN POLYMER SCIENCE. 2004 JUN; 29 (6): 563-633	1	37	4	462
4580	4580 Tada T, Yoshizawa K Reverse exponential decay of electrical transmission in nanosized graphite sheets JOURNAL OF PHYSICAL CHEMISTRY B. 2004 JUN 10; 108 (23): 7565-7572	0	7	4	61
#	Date / Author / Journal	LCS	GCS	LCR	CR
4581	4581 Parkanyi C, Stem-Beren MR, Martinez OR, Aaron JJ, Bulaceanu-MacNair M, et al. Solvatochromic correlations and ground- and excited-state dipole moments of curcuminoid dyes SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. 2004 JUL; 60 (8-9): 1805-1810	0	19	6	52
4582	4582 Nishimura K, Rondonuwu FS, Fujii R, Akahane J, Koyama Y, et al. Sequential singlet internal conversion of 1B(u)(+)-> 3A(g)(-)-> 1B(u)(- )-> 2A(g)(-)->(1 A(g)(-) ground) in all-trans-spirilloxanthin revealed by two-dimensional sub-5-fs spectroscopy CHEMICAL PHYSICS LETTERS. 2004 JUL 1; 392 (1-3): 68-73	2	23	7	25
4583	4583 Thomas A, Milon A, Brasseur R Partial atomic charges of amino acids in proteins PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS. 2004 JUL 1; 56 (1): 102-109	0	16	2	22
4584	4584 Wong KF, Bagchi B, Rossky PJ Distance and orientation dependence of excitation transfer rates in conjugated systems: Beyond the Forster theory JOURNAL OF PHYSICAL CHEMISTRY A. 2004 JUL 8; 108 (27): 5752-5763	2	99	8	81
4585	4585 Akahane J, Rondonuwu FS, Fiedor L, Watanabe Y, Koyama Y Dependence of singlet-energy transfer on the conjugation length of carotenoids reconstituted into the LH1 complex from Rhodospirillum rubrum G9 CHEMICAL PHYSICS LETTERS. 2004 JUL 21; 393 (1-3): 184-191	3	21	6	20
4586	4586 Karabunarliev S, Bittner ER Electroluminescence yield in donor-acceptor copolymers and diblock polymers: A comparative theoretical study JOURNAL OF PHYSICAL CHEMISTRY B. 2004 JUL 22; 108 (29): 10219-10225	0	19	2	55
4587	4587 Jha PC, Das M, Ramasesha S Two-photon absorption cross sections of trans-stilbene, and 7,8- disubstituted stilbenes in different molecular conformations: A model exact study JOURNAL OF PHYSICAL CHEMISTRY A. 2004 JUL 29; 108 (30): 6279-6285	1	11	9	45
4588	4588 Staicu A, Rouille G, Sukhorukov O, Henning T, Huisken F Cavity ring-down laser absorption spectroscopy of jet-cooled anthracene MOLECULAR PHYSICS. 2004 AUG-SEP; 102 (16-17): 1777-1783	0	18	8	30
4589	4589 Mandal B, Banerjee M, Mukherjee AK Cardinalities of reciprocal graphs INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2004 AUG 15; 99 (3): 119-126	0	3	3	21
4590	4590 Suaud N, Gaita-Arino A, Clemente-Juan JM, Coronado E Electron delocalization and electrostatic repulsion at the origin of the strong spin coupling in mixed-valence Keggin polyoxometalates: Ab initio calculations of the one- and two-electron processes CHEMISTRY-A EUROPEAN JOURNAL. 2004 AUG 20; 10 (16): 4041-4053	0	18	3	66
#	Date / Author / Journal	LCS	GCS	LCR	CR
4591	4591 Forner W Theoretical study of bipolaron dynamics in polyparaphenylene: I. Derivation of the formalism and density functional (DFT) calculations on neutral and charged model systems JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 2004 AUG 31; 682 (1-3): 115-136	1	2	10	43
4592	4592 Forner W Theoretical vibrational spectra of organic ring compounds compared to experiment INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2004 SEP 5; 99 (4): 533-555	0	9	8	88
4593	4593 Witek HA, Irle S, Morokuma K Analytical second-order geometrical derivatives of energy for the self- consistent-charge density-functional tight-binding method JOURNAL OF CHEMICAL PHYSICS. 2004 SEP 15; 121 (11): 5163-5170	1	25	8	72
4594	4594 Witek HA, Morokuma K, Stradomska A Modeling vibrational spectra using the self-consistent charge density- functional tight-binding method. I. Raman spectra JOURNAL OF CHEMICAL PHYSICS. 2004 SEP 15; 121 (11): 5171-5178	0	16	5	44
4595	4595 Moroni L, Gellini C, Salvi PR, Vogel E Excited states of bridged [14]annulenes JOURNAL OF PHYSICAL CHEMISTRY A. 2004 OCT 7; 108 (40): 8279-8286	0	1	11	47
4596	4596 Zhao HB, Mazumdar S Electron-electron interaction effects on the optical excitations of semiconducting single-walled carbon nanotubes PHYSICAL REVIEW LETTERS. 2004 OCT 8; 93 (15): Art. No. 157402	10	168	6	38
4597	4597 El-Shahawy AS, Hammam AS CNDO/SCF molecular orbital structural studies and charge transfer complex formation between 4,4 '-dimethoxydiquinone and uracil BULLETIN OF THE CHEMICAL SOCIETY OF ETHIOPIA. 2004 DEC; 18 (2): 193-204	0	0	7	20
4598	4598 Kurashige Y, Nakano H, Nakao Y, Hirao K The pi -> pi* excited states of long linear polyenes studied by the CASCI-MRMP method CHEMICAL PHYSICS LETTERS. 2004 DEC 21; 400 (4-6): 425-429	7	17	12	34
4599	4599 Pedesseau L, Jouanna P Phases, periphases, and interphases equilibrium by molecular modeling. I. Mass equilibrium by the semianalytical stochastic perturbations method and application to a solution between (120) gypsum faces JOURNAL OF CHEMICAL PHYSICS. 2004 DEC 22; 121 (24): 12511-12522	1	3	2	32
2005
4600	4600 Zahradnik R, Srnec M, Havlas Z Electronic spectra of conjugated polyynes, cumulenes and related systems: A theoretical study COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS. 2005; 70 (5): 559-578	0	3	4	57

Date / Author / Journal

LCS

GCS

LCR

2002

4501

4501 Krikunova M, Kummrow A, Voigt B, Rini M, Lokstein H, et al.

Fluorescence of native and carotenoid-depleted LH2 from Chromatium minutissimum, originating from simultaneous two-photon absorption in the spectral range of the presumed (optically 'dark') S-1 state of carotenoids

FEBS LETTERS. 2002 SEP 25; 528 (1-3): 227-229

4502

4502 Kabir MH, Kasahara S, Demtroder W, Tatamitani Y, Okubo M, et al.

Doppler-free high resolution laser spectroscopies of the naphthalene molecule

CHEMICAL PHYSICS. 2002 OCT 1; 283 (1-2): 237-247

4503

4503 Shapley WA, Reimers JR, Hush NS

INDO/S parameters for gold

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2002 OCT 5; 90 (1): 424-438

4504

4504 Doerksen RJ, Thakkar AJ

Bond orders in heteroaromatic rings

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2002 OCT 15; 90 (2): 534-540

4505

4505 Harcourt RD

A note on Wiberg-type atomic valencies for a 3-electron 3-centre valence bond structure

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 2002 OCT 31; 617: 177-180

4506

4506 Krikunova MA, Leupold D, Rini M, Voigt B, Moskalenko AA, et al.

Two-photon excitation fluorescence spectrum of the light-harvesting complex LH2 from Chromatium minutissimum within the 650-745 nm range is determined by two-photon absorption of bacteriochlorophyll rather than of carotenoids

BIOFIZIKA. 2002 NOV-DEC; 47 (6): 1015-1020

4507

4507 Li SH, Ma J, Jiang YS

Kekule-based valence bond model. I. The ground-state properties of conjugated pi-systems

CHINESE JOURNAL OF CHEMISTRY. 2002 NOV; 20 (11): 1168-1179

4508

4508 Van Houten J

A century of chemical dynamics traced through the nobel prizes - 1998: Walter Kohn and John Pople

JOURNAL OF CHEMICAL EDUCATION. 2002 NOV; 79 (11): 1297-+

4509

4509 Forner W, Utz W

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 2002 NOV 15; 618 (1-2): 65-84

116

4510

4510 Bursill RJ, Barford W

Large-scale numerical investigation of excited states in poly(para- phenylene)

PHYSICAL REVIEW B. 2002 NOV 15; 66 (20): Art. No. 205112

Date / Author / Journal

4511

Luminescence and spectroscopy

JOURNAL OF LUMINESCENCE. 2002 DEC; 100 (1-4): 47-55

4512

4512 Wu J, Schmalz TG, Klein DJ

An extended Heisenberg model for conjugated hydrocarbons

JOURNAL OF CHEMICAL PHYSICS. 2002 DEC 8; 117 (22): 9977-9982

4513

4513 Podeszwa R, Stolarczyk LZ

Multiple solutions of coupled-cluster equations for PPP model of [10]annulene

CHEMICAL PHYSICS LETTERS. 2002 DEC 10; 366 (3-4): 426-432

4514

4514 Cho HS, Jeong DH, Cho S, Kim D, Matsuzaki Y, et al.

Photophysical properties of porphyrin tapes

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 2002 DEC 11; 124 (49): 14642-14654

110

2003

4515

4515 Zhu ZH, Lu GQ, Finnerty J, Yang RT

Electronic structure methods applied to gas-carbon reactions

CARBON. 2003; 41 (4): 635-658

4516

4516 Sandorfy C

Remembering the old times of theoretical chemistry

CHEMICKE LISTY. 2003; 97 (4): 182-191

147

4517

4517 Brunaud G, Castet F, Fritsch A, Ducasse L

Parametrization of an effective correlated hamiltonian for hole transfer in large DNA strands

PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 2003; 5 (10): 2104-2113

4518

4518 Ito H

An extended Fano-DeVoe polarizability theory similar to the Bayley- Nielsen-Schellman secular matrix method: CD calculations of polypeptides having alpha-helix, beta-sheet, and beta-turn structures

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 2003 JAN; 76 (1): 59-71

4519

4519 Heinecke E, Hartmann D, Hese A

Laser spectroscopy of free pentacene molecules (II): Stark effect of the vibrationless S-1 <- S-0 transition

JOURNAL OF CHEMICAL PHYSICS. 2003 JAN 1; 118 (1): 113-120

4520

4520 Lopez-Sandoval R, Pastor GM

Electronic properties of the dimerized one-dimensional Hubbard model using lattice density-functional theory

PHYSICAL REVIEW B. 2003 JAN 15; 67 (3): Art. No. 035115

Date / Author / Journal

LCS

GCS

LCR

4521

4521 Tandon K, Ramasesha S, Mazumdar S

Electron correlation effects in electron-hole recombination in organic light-emitting diodes

PHYSICAL REVIEW B. 2003 JAN 15; 67 (4): Art. No. 045109

4522

4522 Korona T, Werner HJ

Local treatment of electron excitations in the EOM-CCSD method

JOURNAL OF CHEMICAL PHYSICS. 2003 FEB 15; 118 (7): 3006-3019

4523

4523 Dietz F, Staykov A, Karabunarliev S, Tyutyulkov N

Photoswitching of the magnetic one-dimensional pi-electron properties of systems - III. Photochromic polymers with polymethine radicals in the elementary units

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY. 2003 FEB 20; 155 (1-3): 21-27

4524

4524 Darling GR, Kosloff R, Zeiri Y

Time-dependent quantum calculations of negative ion formation in scattering of atoms from alkali-halide surfaces

SURFACE SCIENCE. 2003 MAR 20; 528 (1-3): 84-90

4525

4525 Gupta AK, Ryder J, Summerbell RC

Comparison of efficacy criteria across onychomycosis trials: need for standardization

INTERNATIONAL JOURNAL OF DERMATOLOGY. 2003 APR; 42 (4): 312-315

4526

4526 O'Brien TA, Davidson ER

Semiempirical local spin: Theory and implementation of the ZILSH method for predicting Heisenberg exchange constants of polynuclear transition metal complexes

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2003 APR 5; 92 (3): 294-325

115

4527

4527 Pati SK

Transport in molecular wire with long-range Coulomb interactions: A mean-field approach

JOURNAL OF CHEMICAL PHYSICS. 2003 APR 8; 118 (14): 6529-6535

4528

4528 Liang WZ, Yokojima S, Chen GH

Localized-density-matrix calculation of circular dichroism spectrum of optically active molecule

CHEMICAL PHYSICS. 2003 APR 15; 289 (2-3): 175-189

4529

4529 Elstner M, Cui Q, Munih P, Kaxiras E, Frauenheim T, et al.

Modeling zinc in biomolecules with the self consistent charge-density functional tight binding (SCC-DFTB) method: Applications to structural and energetic analysis

JOURNAL OF COMPUTATIONAL CHEMISTRY. 2003 APR 15; 24 (5): 565-581

119

4530

4530 Geerlings P, De Proft F, Langenaeker W

Conceptual density functional theory

CHEMICAL REVIEWS. 2003 MAY; 103 (5): 1793-1873

860

810

Date / Author / Journal

LCS

GCS

LCR

4531

4531 Galunov NZ, Krasovitskii BM, Lyubenko ON, Yermolenko IG, Patsenker LD, et al.

Spectral properties and applications of the new 7H- benzo[de]pyrazolo[5,1-a]isoquinolin-7-ones

JOURNAL OF LUMINESCENCE. 2003 MAY; 102: 119-124

4532

4532 Windsor MW

Flash photolysis and triplet states and free radicals in solution

PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES. 2003 MAY; 2 (5): 455-458

4533

4533 Pasquinelli MA, Yaron D

Quantum chemical investigation of biexcitons in conjugated polymers

JOURNAL OF CHEMICAL PHYSICS. 2003 MAY 1; 118 (17): 8082-8092

4534

4534 Park SY, Oh SW

Synthesis of merocyanines analogues based on the pyrazolin-5-one system

BULLETIN OF THE KOREAN CHEMICAL SOCIETY. 2003 MAY 20; 24 (5): 569-572

4535

4535 Morikawa T, Narita S, Shibuya T

Local confinement of unpaired electrons in non-Kekulean benzenoid hydrocarbons

CHEMICAL PHYSICS LETTERS. 2003 JUN 25; 375 (1-2): 191-195

4536

4536 Shukla A, Ghosh H, Mazumdar S

Theory of excited-state absorption in phenylene-based pi-conjugated polymers

PHYSICAL REVIEW B. 2003 JUN 27; 67 (24): Art. No. 245203

4537

4537 Gupta AK, Ryder JE

The use of oral antifungal agents to treat onychomycosis

DERMATOLOGIC CLINICS. 2003 JUL; 21 (3): 469-+

4538

4538 Gupta AK, Ryder JE, Bluhm R, Johnson A, Summerbell RC

Onychomycosis: Quality of studies

JOURNAL OF CUTANEOUS MEDICINE AND SURGERY. 2003 JUL-AUG; 7 (4): 312-316

4539

4539 Podeszwa R, Stolarczyk LZ, Jankowski K, Rubiniec K

Multiple solutions of coupled-cluster doubles equations for the Pariser-Parr-Pople model of benzene

THEORETICAL CHEMISTRY ACCOUNTS. 2003 JUL; 109 (6): 309-315

4540

4540 Inai Y, Ousaka N, Okabe T

Mechanism for the noncovalent chiral domino effect: New paradigm for the chiral role of the N-terminal segment in a 3(10)-helix

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 2003 JUL 9; 125 (27): 8151-8162

151

Date / Author / Journal

LCS

GCS

LCR

4541

4541 Rondonuwu FS, Watanabe Y, Fujii R, Koyama Y

A first detection of singlet to triplet conversion from the 1(1)B(u)(-) to the 1(3)A(g) state and triplet internal conversion from the 1(3)A(g) to the 1(3)B(u) state in carotenoids: dependence on the conjugation length

CHEMICAL PHYSICS LETTERS. 2003 JUL 24; 376 (3-4): 292-301

4542

4542 Yatsenko AV

Molecular crystals: the crystal field effect on molecular electronic structure

JOURNAL OF MOLECULAR MODELING. 2003 AUG; 9 (4): 207-216

4543

4543 Tyutyulkov N, Mullen K, Baumgarten M, Ivanova A, Tadjer A

Is 2D graphite an ultimate large hydrocarbon? III. Structure and energy spectra of large polybenzenoid hydrocarbons with different edge structures

SYNTHETIC METALS. 2003 AUG 8; 139 (1): 99-107

4544

4544 Dallakyan S, Chandross M, Mazumdar S

Infrared light emission from pi-conjugated polymers: A diagrammatic exciton basis valence bond theory

PHYSICAL REVIEW B. 2003 AUG 15; 68 (7): Art. No. 075204

4545

4545 Tada T, Yoshizawa K

Quantum transport effects in nanosized graphite sheets. II. Enhanced transport effects by heteroatoms

JOURNAL OF PHYSICAL CHEMISTRY B. 2003 AUG 28; 107 (34): 8789-8793

4546

4546 Randic M

Aromaticity of polycyclic conjugated hydrocarbons

CHEMICAL REVIEWS. 2003 SEP; 103 (9): 3449-3605

281

973

4547

4547 Harcourt RD

Revisions to expressions for atomic valencies for 3-electron 3-centre and 4-electron 3-centre valence bond structures

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 2003 SEP 5; 634: 265-269

4548

4548 Nakayama N, Nagashima U

Semiempirical calculation of electronic spectra of organic compounds by using the improved method of new-gamma electron repulsion integral

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 2003 SEP 30; 636: 39-47

4549

4549 Gonzalez-Luque R, Serrano-Andres L, Merchan M, Fulscher MP

Theoretical characterization of the absorption spectra of phenanthrene and its radical cation

THEORETICAL CHEMISTRY ACCOUNTS. 2003 OCT; 110 (3): 224-232

4550

4550 Staykov A, Gehrgel L, Dietz F, Tyutyulkov N

Is 2-D graphite an ultimate large hydrocarbon? IV. Structure and energy spectra of large polycyclic aromatic hydrocarbons with different symmetry

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES. 2003 OCT; 58 (10): 965-970

Date / Author / Journal

LCS

GCS

LCR

4551

4551 Oszwaldowski R, Vazquez H, Pou P, Ortega J, Perez R, et al.

Exchange-correlation energy in the orbital occupancy method: electronic structure of organic molecules

JOURNAL OF PHYSICS-CONDENSED MATTER. 2003 OCT 1; 15 (38): S2665-S2678

4552

4552 Ramasesha S, Mazumdar S, Tandon K, Das M

Electron correlation effects in electron-hole recombination and triplet-triplet scattering in organic light emitting diodes

SYNTHETIC METALS. 2003 OCT 9; 139 (3): 917-920

4553

4553 Kobayashi N, Ogata H, Nonaka N, Luk'yanets EA

Effect of peripheral substitution on the electronic absorption and fluorescence spectra of metal-free and zinc phthalocyanines

CHEMISTRY-A EUROPEAN JOURNAL. 2003 OCT 17; 9 (20): 5123-5134

111

4554

4554 Ansarifar A, Nijhawan R, Nanapoolsin T, Song M

Reinforcing effect of silica and silane fillers on the properties of some natural rubber vulcanizates

RUBBER CHEMISTRY AND TECHNOLOGY. 2003 NOV-DEC; 76 (5): 1290-1310

4555

4555 Nagano Y, Ikoma T, Akiyama K, Tero-Kubota S

Symmetry switching of the fluorescent excited state in alpha,omega- diphenylpolyynes

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 2003 NOV 19; 125 (46): 14103-14112

112

4556

4556 Torrens F

Structural, chemical topological, electrotopological and electronic structure hypotheses

COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING. 2003 DEC; 6 (8): 801-809

179

4557

4557 Wu J, Schmalz TG, Klein DJ

An extended Heisenberg model for conjugated hydrocarbons. II. Kekule basis

JOURNAL OF CHEMICAL PHYSICS. 2003 DEC 1; 119 (21): 11011-11016

2004

4558

4558 Nagao Y, Shimokoshi E, Kozawa K

Synthesis and properties of aza-perylenedicarboximide derivative

HETEROCYCLES. 2004 JAN 1; 62: 821-826

4559

4559 Murakami A, Kobayashi T, Goldberg A, Nakamura S

CASSCF and CASPT2 studies on the structures, transition energies, and dipole moments of ground and excited states for azulene

JOURNAL OF CHEMICAL PHYSICS. 2004 JAN 15; 120 (3): 1245-1252

4560

4560 Fujii R, Fujino T, Inaba T, Nagae H, Koyama Y

Internal conversion of 1B(u)(+) -> 1B(u)(-) -> 2A(g)(-) and fluorescence from the 1B(u)(-) state in all-trans-neurosporene as probed by up-conversion spectroscopy

CHEMICAL PHYSICS LETTERS. 2004 JAN 19; 384 (1-3): 9-15

Date / Author / Journal

LCS

GCS

LCR

4561

4561 Ansarifar A, Lim HP, Nijhawan R

Assessment of the effect of a bifunctional organosilane on the bound rubber and properties of some natural rubber compounds

INTERNATIONAL JOURNAL OF ADHESION AND ADHESIVES. 2004 FEB; 24 (1): 9-22

4562

4562 Lopez-Sandoval R, Pastor GM

Interaction-energy functional for lattice density functional theory: Applications to one-, two-, and three-dimensional Hubbard models

PHYSICAL REVIEW B. 2004 FEB; 69 (8): Art. No. 085101

4563

4563 Ruette F, Sanchez M, Mendoza C, Sierraalta A, Martorell G, et al.

Calculation of one-center integrals in parametric methods using simulated annealing and simplex methods

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2004 FEB 5; 96 (4): 303-311

4564

4564 Das A, Naskar N, Basu DK

Thiophosphoryl disulfides as crosslinking agents for chloroprene rubber

JOURNAL OF APPLIED POLYMER SCIENCE. 2004 FEB 5; 91 (3): 1913-1919

4565

4565 Kobayashi N, Ogata H

Some properties and molecular orbitals of planar heterodinuclear phthalocyanines

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY. 2004 FEB 20; (4): 906-914

4566

4566 Gupta AK, Ryder JE, Johnson AM

Cumulative meta-analysis of systemic antifungal agents for the treatment of onychomycosis

BRITISH JOURNAL OF DERMATOLOGY. 2004 MAR; 150 (3): 537-544

4567

4567 Chiu HC, Hsiue T, Chen WY

FTIR-ATR measurements of the ionization extent of acrylic acid within copolymerized methacrylated dextran/acrylic acid networks and its relation with pH/salt concentration-induced equilibrium swelling

POLYMER. 2004 MAR 1; 45 (5): 1627-1636

4568

4568 Tyutyulkov N, Ivanov N, Mullen K, Staykov A, Dietz F

Energy spectra of one-dimensional stacks of polycyclic aromatic hydrocarbons without defects

JOURNAL OF PHYSICAL CHEMISTRY B. 2004 APR 8; 108 (14): 4275-4282

4569

4569 Fleischhauer J, Howeler U, Spanget-Larsen J, Raabe G, Michl J

Magnetic circular dichroism of nonaromatic cyclic pi-electron systems. 5. Biphenylene and its aza analogues

JOURNAL OF PHYSICAL CHEMISTRY A. 2004 APR 15; 108 (15): 3225-3234

4570

4570 Chen SC, Wu YC, Mi FL, Lin YH, Yu LC, et al.

A novel pH-sensitive hydrogel composed of N,O-carboxymethyl chitosan and alginate cross-linked by genipin for protein drug delivery

JOURNAL OF CONTROLLED RELEASE. 2004 APR 28; 96 (2): 285-300

206

Date / Author / Journal

LCS

GCS

LCR

4571

4571 Koyama Y, Rondonuwu FS, Fujii R, Watanabe Y

Light-harvesting function of carotenoids in photo-synthesis: The roles of the newly found 1(1)B(u)(-) state

BIOPOLYMERS. 2004 MAY-JUN; 74 (1-2): 2-18

4572

4572 Brey WS, Richardson DW, West J

NMR spectra of 1,3,5-triazines with fluorinated substituents

JOURNAL OF FLUORINE CHEMISTRY. 2004 MAY; 125 (5): 755-761

4573

4573 Enomoto S, Kumagai K, Tamura T, Hasegawa M, Nakada K, et al.

NMR and MO studies on the molecular structure of a fluoranthene-benzene complex

MONATSHEFTE FUR CHEMIE. 2004 MAY; 135 (5): 471-481

4574

4574 Golovanov IB, Zhenodarova SM

Structure-property correlation: XVI.(1) - Linear molecules

RUSSIAN JOURNAL OF GENERAL CHEMISTRY. 2004 MAY; 74 (5): 701-705

4575

4575 Dietz F, Mullen K, Baumgarten M, Georgiev V, Tyutyulkov N

Structure and properties of non-classical polymers. XIV. Heteronuclear 1-D polymers with 2-azaphenalenyl radicals

CHEMICAL PHYSICS LETTERS. 2004 MAY 1; 389 (1-3): 135-139

4576

4576 Devaux A, Minkowski C, Calzaferri G

Electronic and vibrational properties of fluorenone in the channels of zeolite L

CHEMISTRY-A EUROPEAN JOURNAL. 2004 MAY 17; 10 (10): 2391-2408

4577

4577 Forner W, Badawi HM

Infrared and Raman spectra of polyparaphenylene dimers in their aromatic and quinoidal forms for the detection of bipolarons in the charge transport of conducting polymer samples

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 2004 MAY 31; 677 (1-3): 179-198

4578

4578 Zhu BK, Xu YY, Wei XZ, Xu ZK

Synthesis and photoconductive characteristics of biphenylporphyrin- containing poly(amic acid)s and polyimides

POLYMER INTERNATIONAL. 2004 JUN; 53 (6): 708-715

4579

4579 Kuchanov S, Slot H, Stroeks A

Development of a quantitative theory of polycondensation

PROGRESS IN POLYMER SCIENCE. 2004 JUN; 29 (6): 563-633

462

4580

4580 Tada T, Yoshizawa K

Reverse exponential decay of electrical transmission in nanosized graphite sheets

JOURNAL OF PHYSICAL CHEMISTRY B. 2004 JUN 10; 108 (23): 7565-7572

Date / Author / Journal

LCS

GCS

LCR

4581

4581 Parkanyi C, Stem-Beren MR, Martinez OR, Aaron JJ, Bulaceanu-MacNair M, et al.

Solvatochromic correlations and ground- and excited-state dipole moments of curcuminoid dyes

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. 2004 JUL; 60 (8-9): 1805-1810

4582

4582 Nishimura K, Rondonuwu FS, Fujii R, Akahane J, Koyama Y, et al.

Sequential singlet internal conversion of 1B(u)(+)-> 3A(g)(-)-> 1B(u)(- )-> 2A(g)(-)->(1 A(g)(-) ground) in all-trans-spirilloxanthin revealed by two-dimensional sub-5-fs spectroscopy

CHEMICAL PHYSICS LETTERS. 2004 JUL 1; 392 (1-3): 68-73

4583

4583 Thomas A, Milon A, Brasseur R

Partial atomic charges of amino acids in proteins

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS. 2004 JUL 1; 56 (1): 102-109

4584

4584 Wong KF, Bagchi B, Rossky PJ

Distance and orientation dependence of excitation transfer rates in conjugated systems: Beyond the Forster theory

JOURNAL OF PHYSICAL CHEMISTRY A. 2004 JUL 8; 108 (27): 5752-5763

4585

4585 Akahane J, Rondonuwu FS, Fiedor L, Watanabe Y, Koyama Y

Dependence of singlet-energy transfer on the conjugation length of carotenoids reconstituted into the LH1 complex from Rhodospirillum rubrum G9

CHEMICAL PHYSICS LETTERS. 2004 JUL 21; 393 (1-3): 184-191

4586

4586 Karabunarliev S, Bittner ER

Electroluminescence yield in donor-acceptor copolymers and diblock polymers: A comparative theoretical study

JOURNAL OF PHYSICAL CHEMISTRY B. 2004 JUL 22; 108 (29): 10219-10225

4587

4587 Jha PC, Das M, Ramasesha S

Two-photon absorption cross sections of trans-stilbene, and 7,8- disubstituted stilbenes in different molecular conformations: A model exact study

JOURNAL OF PHYSICAL CHEMISTRY A. 2004 JUL 29; 108 (30): 6279-6285

4588

4588 Staicu A, Rouille G, Sukhorukov O, Henning T, Huisken F

Cavity ring-down laser absorption spectroscopy of jet-cooled anthracene

MOLECULAR PHYSICS. 2004 AUG-SEP; 102 (16-17): 1777-1783

4589

4589 Mandal B, Banerjee M, Mukherjee AK

Cardinalities of reciprocal graphs

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2004 AUG 15; 99 (3): 119-126

4590

4590 Suaud N, Gaita-Arino A, Clemente-Juan JM, Coronado E

Electron delocalization and electrostatic repulsion at the origin of the strong spin coupling in mixed-valence Keggin polyoxometalates: Ab initio calculations of the one- and two-electron processes

CHEMISTRY-A EUROPEAN JOURNAL. 2004 AUG 20; 10 (16): 4041-4053

Date / Author / Journal

4591

Theoretical study of bipolaron dynamics in polyparaphenylene: I. Derivation of the formalism and density functional (DFT) calculations on neutral and charged model systems

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 2004 AUG 31; 682 (1-3): 115-136

4592

4592 Forner W

Theoretical vibrational spectra of organic ring compounds compared to experiment

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2004 SEP 5; 99 (4): 533-555

4593

4593 Witek HA, Irle S, Morokuma K

Analytical second-order geometrical derivatives of energy for the self- consistent-charge density-functional tight-binding method

JOURNAL OF CHEMICAL PHYSICS. 2004 SEP 15; 121 (11): 5163-5170

4594

4594 Witek HA, Morokuma K, Stradomska A

Modeling vibrational spectra using the self-consistent charge density- functional tight-binding method. I. Raman spectra

JOURNAL OF CHEMICAL PHYSICS. 2004 SEP 15; 121 (11): 5171-5178

4595

4595 Moroni L, Gellini C, Salvi PR, Vogel E

Excited states of bridged [14]annulenes

JOURNAL OF PHYSICAL CHEMISTRY A. 2004 OCT 7; 108 (40): 8279-8286

4596

4596 Zhao HB, Mazumdar S

Electron-electron interaction effects on the optical excitations of semiconducting single-walled carbon nanotubes

PHYSICAL REVIEW LETTERS. 2004 OCT 8; 93 (15): Art. No. 157402

168

4597

4597 El-Shahawy AS, Hammam AS

CNDO/SCF molecular orbital structural studies and charge transfer complex formation between 4,4 '-dimethoxydiquinone and uracil

BULLETIN OF THE CHEMICAL SOCIETY OF ETHIOPIA. 2004 DEC; 18 (2): 193-204

4598

4598 Kurashige Y, Nakano H, Nakao Y, Hirao K

The pi -> pi* excited states of long linear polyenes studied by the CASCI-MRMP method

CHEMICAL PHYSICS LETTERS. 2004 DEC 21; 400 (4-6): 425-429

4599

4599 Pedesseau L, Jouanna P

Phases, periphases, and interphases equilibrium by molecular modeling. I. Mass equilibrium by the semianalytical stochastic perturbations method and application to a solution between (120) gypsum faces

JOURNAL OF CHEMICAL PHYSICS. 2004 DEC 22; 121 (24): 12511-12522

2005

4600

4600 Zahradnik R, Srnec M, Havlas Z

Electronic spectra of conjugated polyynes, cumulenes and related systems: A theoretical study

COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS. 2005; 70 (5): 559-578

papers citing Rudy Pariser Publications by Rudy Pariser and the papers citing R Pariser	Historiographs	Glossary HistCite Guide About Grand Totals: LCS 29242, GCS 189873, CR 195260 Collection span: 1948 - 2011
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