HistCite - papers citing Rudy Pariser

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#	Date / Author / Journal	LCS	GCS	LCR	CR
4601	4447 Zhang H, Cheng WD, Zheng FK, Chen JT Synthesis and electronic structures and linear optics of solid state compound SrB2O4 CHINESE JOURNAL OF CHEMISTRY. 2001 JUL; 19 (7): 641-646	0	0	3	21
4602	4448 Hasegawa M, Nakao A, Masui M, Tamura T, Suzuki D, et al. Higher excited state fluorescence of mixed ligand lanthanide(III) complexes with acetylacetonato, nitrate and terpyridine CHEMICAL PHYSICS. 2001 JUL 1; 269 (1-3): 323-337	0	9	9	52
4603	4450 Lowdin PO Quantum theory of cohesive properties of solids ADVANCES IN PHYSICS. 2001 SEP; 50 (6): 597-756	0	2	3	312
4604	4451 Averbukh V, Alon OE, Moiseyev N High-order harmonic generation by molecules of discrete rotational symmetry interacting with circularly polarized laser field PHYSICAL REVIEW A. 2001 SEP; 6403 (3): Art. No. 033411	0	29	1	39
4605	4452 Cheng WD, Wu DS, Zhang H, Chen JT Electronic structure and spectrum third-order nonlinear optics of the metal phthalocyanines PcM (M = Zn, Ni, TiO) PHYSICAL REVIEW B. 2001 SEP 15; 6412 (12): Art. No. 125109	0	20	3	32
4606	4456 El-Shafei A, Hinks D, Freeman HS, Lye J Semi-empirical molecular orbital methods in the design of organic colorants AATCC REVIEW. 2001 DEC; 1 (12): 23-26	0	2	5	17
4607	4457 De Chauvin MF, Baran R, Chabasse D Onychomycosis. III - Treatment JOURNAL DE MYCOLOGIE MEDICALE. 2001 DEC; 11 (4): 205-215	0	4	0	65
4608	4459 Yin YH, Yang YJ, Xu HB Hydrogels for colon-specific drug delivery: Swelling kinetics and mechanism of degradation in vitro JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS. 2001 DEC 15; 39 (24): 3128-3137	0	23	2	22
4609	4461 Parkanyi C, Boniface C, Aaron JJ, Bulaceanu-MacNair M, Dakkouri M Theoretical and experimental dipole moments of purines COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS. 2002; 67 (8): 1109-1124	0	17	9	47
4610	4462 Reimers JR, Shapley WA, Lambropoulos N, Hush NS An atomistic approach to conduction between nanoelectrodes through a single molecule MOLECULAR ELECTRONICS II. 2002; 960: 100-130	0	12	7	59
#	Date / Author / Journal	LCS	GCS	LCR	CR
4611	4464 Peyerimhoff SD The development of computational chemistry in Germany REVIEWS IN COMPUTATIONAL CHEMISTRY, VOL 18. 2002; 18: 257-291	0	2	4	134
4612	4465 Schumann R Thermodynamics of a 4-site Hubbard model by analytical diagonalization ANNALEN DER PHYSIK. 2002 JAN; 11 (1): 49-87	0	24	2	35
4613	4466 Park SY, John G The synthesis and dichroic properties of the squarylium chromophores JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY. 2002 JAN; 8 (1): 77-81	0	0	1	11
4614	4467 Obermuller RA, Etzlstorfer C, Falk H On the chemistry of a dibenzohypericin derivative MONATSHEFTE FUR CHEMIE. 2002 JAN; 133 (1): 89-96	0	5	3	21
4615	4468 Tyutyulkov N, Dietz F Photoswitching of the optical and electrical properties of one- dimensional pi-electron systems ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES. 2002 JAN-FEB; 57 (1-2): 89-93	0	0	7	33
4616	4469 Van der Auweraer M, Scheblykin I One-dimensional J-aggregates: Dependence of the properties of the exciton band on the model of the intermolecular coupling CHEMICAL PHYSICS. 2002 JAN 1; 275 (1-3): 285-306	0	9	6	86
4617	4475 Bytautas L, Ruedenberg K Electron pairs, localized orbitals and electron correlation MOLECULAR PHYSICS. 2002 MAR; 100 (6): 757-781	0	19	3	133
4618	4476 Miwa H, Makarova EA, Ishii K, Luk'yanets EA, Kobayashi N Spectroscopy, electrochemistry, and molecular orbital calculations of metal-free tetraazaporphyrin, -chlorin, -bacteriochlorin, and - isobacteriochlorin CHEMISTRY-A EUROPEAN JOURNAL. 2002 MAR 1; 8 (5): 1082-1090	0	29	8	68
4619	4477 Ichikawa H, Sakata K Aromaticity/antiaromaticity in cyclic conjugated hydrocarbons INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2002 MAR 20; 87 (3): 135-144	0	3	3	25
4620	4479 Guo FY Theoretical studies on the optical absorption in MEH-DSB oligomer CHEMICAL PHYSICS LETTERS. 2002 MAR 25; 355 (1-2): 89-93	0	0	2	19
#	Date / Author / Journal	LCS	GCS	LCR	CR
4621	4481 Kiefl C, Sreerama N, Haddad R, Sun LS, Jentzen W, et al. Hems distortions in sperm-whale carbonmonoxy myoglobin: Correlations between rotational strengths and heme distortions in MD-generated structures JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 2002 APR 3; 124 (13): 3385-3394	0	25	5	37
4622	4482 Ohno K, Takahashi R Excited-state vibrations of benzene and polycyclic aromatic hydrocarbons: simple force field models based on molecular orbital characteristics of hexagonal carbon networks CHEMICAL PHYSICS LETTERS. 2002 APR 22; 356 (3-4): 409-422	0	4	8	32
4623	4487 Rudra I, Raghu C, Ramasesha S Exchange interaction in binuclear complexes with rare-earth and copper ions: A many-body model study PHYSICAL REVIEW B. 2002 JUN 1; 65 (22): Art. No. 224411	0	8	5	30
4624	4491 Yin YH, Yang YJ, Xu HB Hydrogels containing 4,4 '-di(metracryloylmino)azobenzene: Synthesis and animal experiment for colonic-site drug release ACTA POLYMERICA SINICA. 2002 AUG; (4): 408-413	0	2	2	22
4625	4492 Jha PC, Krishnan A, Das PK, Ramasesha S Nonlinear optical properties of linear chain phosphazenes, (PN)(x) JOURNAL OF CHEMICAL PHYSICS. 2002 AUG 8; 117 (6): 2873-2881	0	6	7	44
4626	4495 Davila LYA, Caldas MJ Applicability of MNDO techniques AM1 and PM3 to ring-structured polymers JOURNAL OF COMPUTATIONAL CHEMISTRY. 2002 SEP; 23 (12): 1135-1142	0	30	3	33
4627	4497 Rassolov VA, Garashchuk SV, Ratner MA Description of metals based on localized electrons CHEMICAL PHYSICS LETTERS. 2002 SEP 9; 363 (3-4): 219-225	0	0	4	21
4628	4498 Higuchi J, Hayashi K, Yagi M, Kondo H Conformations and zero-field splittings in the lowest excited triplet states of meta- and para-polyphenyl molecules JOURNAL OF PHYSICAL CHEMISTRY A. 2002 SEP 19; 106 (37): 8609-8618	0	12	4	20
4629	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
4630	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
#	Date / Author / Journal	LCS	GCS	LCR	CR
4631	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
4632	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
4633	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
4634	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
4635	4511 McClure DS Luminescence and spectroscopy JOURNAL OF LUMINESCENCE. 2002 DEC; 100 (1-4): 47-55	0	2	2	59
4636	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
4637	4516 Sandorfy C Remembering the old times of theoretical chemistry CHEMICKE LISTY. 2003; 97 (4): 182-191	0	2	9	147
4638	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
4639	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
4640	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
#	Date / Author / Journal	LCS	GCS	LCR	CR
4641	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
4642	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
4643	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
4644	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
4645	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
4646	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
4647	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
4648	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
4649	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
4650	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
#	Date / Author / Journal	LCS	GCS	LCR	CR
4651	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
4652	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
4653	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
4654	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
4655	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
4656	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
4657	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
4658	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
4659	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
4660	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
#	Date / Author / Journal	LCS	GCS	LCR	CR
4661	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
4662	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
4663	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
4664	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
4665	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
4666	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
4667	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
4668	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
4669	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
4670	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
#	Date / Author / Journal	LCS	GCS	LCR	CR
4671	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
4672	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
4673	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
4674	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
4675	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
4676	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
4677	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
4678	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
4679	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
4680	4601 Forner W Theoretical study of bipolaron dynamics in polyparaphenylene: II. Density functional theory (DFT) calculations on neutral dimers and semiempirical Huckel-type calculations on neutral and charged model chains COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS. 2005; 70 (6): 689-730	0	0	13	47
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4681	4602 Zhu BK, Xu YY, Xu ZK Enhancing the photoconductivity of polyimides by incorporating intrinsic chromophore units POLYIMIDES AND OTHER HIGH TEMPERATURE POLYMERS: SYNTHESIS, CHARACTERIZATION AND APPLICATIONS, VOL 3. 2005; : 423-437	0	0	1	16
4682	4603 Johannessen C, Gorski A, Waluk J, Spanget-Larsen J Electronic states of anthanthrene. Linear and magnetic circular dichroism, fluorescence anisotropy, and quantum chemical calculations POLYCYCLIC AROMATIC COMPOUNDS. 2005 JAN-FEB; 25 (1): 23-45	0	3	8	38
4683	4605 Vukicevic D, Randic M On Kekule structures of buckminsterfullerene CHEMICAL PHYSICS LETTERS. 2005 JAN 11; 401 (4-6): 446-450	0	12	5	31
4684	4606 Morikawa T, Narita S, Klein DJ Molecular electric conductance and long-bond structure counting for conjugated-carbon nano-structures CHEMICAL PHYSICS LETTERS. 2005 FEB 4; 402 (4-6): 554-558	0	5	4	31
4685	4608 Tyutyulkov N, Drebov N, Dietz F Symmetry distortion of extended 1-D pi-electron systems CHEMICAL PHYSICS. 2005 APR 4; 310 (1-3): 297-301	0	1	3	29
4686	4610 Lin YH, Liang HF, Chung CK, Chen MC, Sung HW Physically crosslinked alginate/N,O-carboxymethyl chitosan hydrogels with calcium for oral delivery of protein drugs BIOMATERIALS. 2005 MAY; 26 (14): 2105-2113	0	89	2	28
4687	4611 Yanagi K, Gardiner AT, Cogdell RJ, Hashimoto H Electroabsorption spectroscopy of beta-carotene homologs: Anomalous enhancement of Delta mu PHYSICAL REVIEW B. 2005 MAY; 71 (19): Art. No. 195118	0	6	10	79
4688	4612 Podeszwa R, Stolarczyk LZ Second-order electronic correlation effects in a one-dimensional metal PHYSICAL REVIEW B. 2005 MAY; 71 (20): Art. No. 205114	0	0	19	108
4689	4613 Homem-de-Mello P, Mennucci B, Tomasi J, da Silva ABF The effects of solvation in the theoretical spectra of cationic dyes THEORETICAL CHEMISTRY ACCOUNTS. 2005 JUN; 113 (5): 274-280	0	19	9	64
4690	4614 Gruszecki WI, Stiel H, Niedzwiedzki D, Beck A, Milanowska J, et al. Towards elucidating the energy of the first excited singlet state of xanthophyll cycle pigments by X-ray absorption spectroscopy BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS. 2005 JUN 1; 1708 (1): 102-107	0	2	9	36
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4691	4615 Yamamoto T, Lee BL, Nurulla I, Yasuda T, Yamaguchi I, et al. Transfer of photoenergy in pi-conjugated polymers. Two types of photoluminescence that involve energy transfer along a polymer chain JOURNAL OF PHYSICAL CHEMISTRY B. 2005 JUN 2; 109 (21): 10605-10610	0	5	3	40
4692	4616 Ping HA, Shimoi Y, Abe S Charge-induced spin alignment in diradical donor molecules: Numerical calculations of correlated many-electron-spin systems JOURNAL OF CHEMICAL PHYSICS. 2005 JUN 22; 122 (24): Art. No. 244324	0	0	4	53
4693	4617 Olkhov YA, Jurkowski B On the more informative version of thermomechanical analysis at compression mode - A review JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY. 2005 JUL; 81 (2): 489-500	0	10	2	99
4694	4618 Kwak NS, Yang YK, Jeong BY, Hwang TS Synthesis and properties of polyester system polyurethane without solvent POLYMER-KOREA. 2005 JUL; 29 (4): 344-349	0	0	2	17
4695	4619 Mineva T Third-order energy derivative corrections to the Kohn-Sham orbital hardness tensor JOURNAL OF CHEMICAL SCIENCES. 2005 SEP; 117 (5): 485-490	0	1	5	46
4696	4620 Huai P, Shimoi Y, Abe S Theory of photoinduced high-spin states in organic molecules PHYSICAL REVIEW B. 2005 SEP; 72 (9): Art. No. 094413	0	4	6	55
4697	4621 Hiberty PC, Shaik S Some answers to frequently asked questions about the distortive tendencies of pi-electronic system THEORETICAL CHEMISTRY ACCOUNTS. 2005 SEP; 114 (1-3): 169-181	0	8	9	66
4698	4623 Xiang JF, Rondonuwu FS, Kakitani Y, Fujii R, Watanabe Y, et al. Mechanisms of electron injection from retinoic acid and carotenoic acids to TiO2 nanoparticles and charge recombination via the T-1 state as determined by subpicosecond to microsecond time-resolved absorption spectroscopy: Dependence on the conjugation length JOURNAL OF PHYSICAL CHEMISTRY B. 2005 SEP 15; 109 (36): 17066-17077	0	15	10	40
4699	4624 Huai P, Shimoi Y, Abe S Optical and electronic control of spin-alignment in molecular magnets SYNTHETIC METALS. 2005 SEP 20; 152 (1-3): 469-472	0	0	2	15
4700	4625 Cyranski MK Energetic aspects of cyclic Pi-electron delocalization: Evaluation of the methods of estimating aromatic stabilization energies CHEMICAL REVIEWS. 2005 OCT; 105 (10): 3773-3811	0	168	15	565

Date / Author / Journal

LCS

GCS

LCR

4601

4447 Zhang H, Cheng WD, Zheng FK, Chen JT

Synthesis and electronic structures and linear optics of solid state compound SrB2O4

CHINESE JOURNAL OF CHEMISTRY. 2001 JUL; 19 (7): 641-646

4602

4448 Hasegawa M, Nakao A, Masui M, Tamura T, Suzuki D, et al.

Higher excited state fluorescence of mixed ligand lanthanide(III) complexes with acetylacetonato, nitrate and terpyridine

CHEMICAL PHYSICS. 2001 JUL 1; 269 (1-3): 323-337

4603

4450 Lowdin PO

Quantum theory of cohesive properties of solids

ADVANCES IN PHYSICS. 2001 SEP; 50 (6): 597-756

312

4604

4451 Averbukh V, Alon OE, Moiseyev N

High-order harmonic generation by molecules of discrete rotational symmetry interacting with circularly polarized laser field

PHYSICAL REVIEW A. 2001 SEP; 6403 (3): Art. No. 033411

4605

4452 Cheng WD, Wu DS, Zhang H, Chen JT

Electronic structure and spectrum third-order nonlinear optics of the metal phthalocyanines PcM (M = Zn, Ni, TiO)

PHYSICAL REVIEW B. 2001 SEP 15; 6412 (12): Art. No. 125109

4606

4456 El-Shafei A, Hinks D, Freeman HS, Lye J

Semi-empirical molecular orbital methods in the design of organic colorants

AATCC REVIEW. 2001 DEC; 1 (12): 23-26

4607

4457 De Chauvin MF, Baran R, Chabasse D

Onychomycosis. III - Treatment

JOURNAL DE MYCOLOGIE MEDICALE. 2001 DEC; 11 (4): 205-215

4608

4459 Yin YH, Yang YJ, Xu HB

Hydrogels for colon-specific drug delivery: Swelling kinetics and mechanism of degradation in vitro

JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS. 2001 DEC 15; 39 (24): 3128-3137

4609

4461 Parkanyi C, Boniface C, Aaron JJ, Bulaceanu-MacNair M, Dakkouri M

Theoretical and experimental dipole moments of purines

COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS. 2002; 67 (8): 1109-1124

4610

4462 Reimers JR, Shapley WA, Lambropoulos N, Hush NS

An atomistic approach to conduction between nanoelectrodes through a single molecule

MOLECULAR ELECTRONICS II. 2002; 960: 100-130

Date / Author / Journal

4611

The development of computational chemistry in Germany

REVIEWS IN COMPUTATIONAL CHEMISTRY, VOL 18. 2002; 18: 257-291

134

4612

4465 Schumann R

Thermodynamics of a 4-site Hubbard model by analytical diagonalization

ANNALEN DER PHYSIK. 2002 JAN; 11 (1): 49-87

4613

4466 Park SY, John G

The synthesis and dichroic properties of the squarylium chromophores

JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY. 2002 JAN; 8 (1): 77-81

4614

4467 Obermuller RA, Etzlstorfer C, Falk H

On the chemistry of a dibenzohypericin derivative

MONATSHEFTE FUR CHEMIE. 2002 JAN; 133 (1): 89-96

4615

4468 Tyutyulkov N, Dietz F

Photoswitching of the optical and electrical properties of one- dimensional pi-electron systems

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES. 2002 JAN-FEB; 57 (1-2): 89-93

4616

4469 Van der Auweraer M, Scheblykin I

One-dimensional J-aggregates: Dependence of the properties of the exciton band on the model of the intermolecular coupling

CHEMICAL PHYSICS. 2002 JAN 1; 275 (1-3): 285-306

4617

4475 Bytautas L, Ruedenberg K

Electron pairs, localized orbitals and electron correlation

MOLECULAR PHYSICS. 2002 MAR; 100 (6): 757-781

133

4618

4476 Miwa H, Makarova EA, Ishii K, Luk'yanets EA, Kobayashi N

Spectroscopy, electrochemistry, and molecular orbital calculations of metal-free tetraazaporphyrin, -chlorin, -bacteriochlorin, and - isobacteriochlorin

CHEMISTRY-A EUROPEAN JOURNAL. 2002 MAR 1; 8 (5): 1082-1090

4619

4477 Ichikawa H, Sakata K

Aromaticity/antiaromaticity in cyclic conjugated hydrocarbons

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2002 MAR 20; 87 (3): 135-144

4620

4479 Guo FY

Theoretical studies on the optical absorption in MEH-DSB oligomer

CHEMICAL PHYSICS LETTERS. 2002 MAR 25; 355 (1-2): 89-93

Date / Author / Journal

LCS

GCS

LCR

4621

4481 Kiefl C, Sreerama N, Haddad R, Sun LS, Jentzen W, et al.

Hems distortions in sperm-whale carbonmonoxy myoglobin: Correlations between rotational strengths and heme distortions in MD-generated structures

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 2002 APR 3; 124 (13): 3385-3394

4622

4482 Ohno K, Takahashi R

Excited-state vibrations of benzene and polycyclic aromatic hydrocarbons: simple force field models based on molecular orbital characteristics of hexagonal carbon networks

CHEMICAL PHYSICS LETTERS. 2002 APR 22; 356 (3-4): 409-422

4623

4487 Rudra I, Raghu C, Ramasesha S

Exchange interaction in binuclear complexes with rare-earth and copper ions: A many-body model study

PHYSICAL REVIEW B. 2002 JUN 1; 65 (22): Art. No. 224411

4624

4491 Yin YH, Yang YJ, Xu HB

Hydrogels containing 4,4 '-di(metracryloylmino)azobenzene: Synthesis and animal experiment for colonic-site drug release

ACTA POLYMERICA SINICA. 2002 AUG; (4): 408-413

4625

4492 Jha PC, Krishnan A, Das PK, Ramasesha S

Nonlinear optical properties of linear chain phosphazenes, (PN)(x)

JOURNAL OF CHEMICAL PHYSICS. 2002 AUG 8; 117 (6): 2873-2881

4626

4495 Davila LYA, Caldas MJ

Applicability of MNDO techniques AM1 and PM3 to ring-structured polymers

JOURNAL OF COMPUTATIONAL CHEMISTRY. 2002 SEP; 23 (12): 1135-1142

4627

4497 Rassolov VA, Garashchuk SV, Ratner MA

Description of metals based on localized electrons

CHEMICAL PHYSICS LETTERS. 2002 SEP 9; 363 (3-4): 219-225

4628

4498 Higuchi J, Hayashi K, Yagi M, Kondo H

Conformations and zero-field splittings in the lowest excited triplet states of meta- and para-polyphenyl molecules

JOURNAL OF PHYSICAL CHEMISTRY A. 2002 SEP 19; 106 (37): 8609-8618

4629

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

4630

4503 Shapley WA, Reimers JR, Hush NS

INDO/S parameters for gold

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

Date / Author / Journal

LCS

GCS

LCR

4631

4504 Doerksen RJ, Thakkar AJ

Bond orders in heteroaromatic rings

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

4632

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

4633

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

4634

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-+

4635

4511 McClure DS

Luminescence and spectroscopy

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

4636

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

Electronic structure methods applied to gas-carbon reactions

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

4637

4516 Sandorfy C

Remembering the old times of theoretical chemistry

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

147

4638

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

4639

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

4640

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

Date / Author / Journal

LCS

GCS

LCR

4641

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

4642

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

4643

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

4644

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

4645

4532 Windsor MW

Flash photolysis and triplet states and free radicals in solution

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

4646

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

4647

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

4648

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

4649

4542 Yatsenko AV

Molecular crystals: the crystal field effect on molecular electronic structure

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

4650

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

Date / Author / Journal

LCS

GCS

LCR

4651

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

4652

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

4653

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

4654

4556 Torrens F

Structural, chemical topological, electrotopological and electronic structure hypotheses

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

179

4655

4558 Nagao Y, Shimokoshi E, Kozawa K

Synthesis and properties of aza-perylenedicarboximide derivative

HETEROCYCLES. 2004 JAN 1; 62: 821-826

4656

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

4657

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

4658

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

4659

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

4660

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

Date / Author / Journal

LCS

GCS

LCR

4661

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

4662

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

4663

4574 Golovanov IB, Zhenodarova SM

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

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

4664

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

4665

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

4666

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

4667

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

4668

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

4669

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

4670

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

Date / Author / Journal

LCS

GCS

LCR

4671

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

4672

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

4673

4589 Mandal B, Banerjee M, Mukherjee AK

Cardinalities of reciprocal graphs

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

4674

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

4675

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

4676

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

4677

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

4678

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

4679

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

4680

4601 Forner W

Theoretical study of bipolaron dynamics in polyparaphenylene: II. Density functional theory (DFT) calculations on neutral dimers and semiempirical Huckel-type calculations on neutral and charged model chains

COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS. 2005; 70 (6): 689-730

Date / Author / Journal

LCS

GCS

LCR

4681

4602 Zhu BK, Xu YY, Xu ZK

Enhancing the photoconductivity of polyimides by incorporating intrinsic chromophore units

POLYIMIDES AND OTHER HIGH TEMPERATURE POLYMERS: SYNTHESIS, CHARACTERIZATION AND APPLICATIONS, VOL 3. 2005; : 423-437

4682

4603 Johannessen C, Gorski A, Waluk J, Spanget-Larsen J

Electronic states of anthanthrene. Linear and magnetic circular dichroism, fluorescence anisotropy, and quantum chemical calculations

POLYCYCLIC AROMATIC COMPOUNDS. 2005 JAN-FEB; 25 (1): 23-45

4683

4605 Vukicevic D, Randic M

On Kekule structures of buckminsterfullerene

CHEMICAL PHYSICS LETTERS. 2005 JAN 11; 401 (4-6): 446-450

4684

4606 Morikawa T, Narita S, Klein DJ

Molecular electric conductance and long-bond structure counting for conjugated-carbon nano-structures

CHEMICAL PHYSICS LETTERS. 2005 FEB 4; 402 (4-6): 554-558

4685

4608 Tyutyulkov N, Drebov N, Dietz F

Symmetry distortion of extended 1-D pi-electron systems

CHEMICAL PHYSICS. 2005 APR 4; 310 (1-3): 297-301

4686

4610 Lin YH, Liang HF, Chung CK, Chen MC, Sung HW

Physically crosslinked alginate/N,O-carboxymethyl chitosan hydrogels with calcium for oral delivery of protein drugs

BIOMATERIALS. 2005 MAY; 26 (14): 2105-2113

4687

4611 Yanagi K, Gardiner AT, Cogdell RJ, Hashimoto H

Electroabsorption spectroscopy of beta-carotene homologs: Anomalous enhancement of Delta mu

PHYSICAL REVIEW B. 2005 MAY; 71 (19): Art. No. 195118

4688

4612 Podeszwa R, Stolarczyk LZ

Second-order electronic correlation effects in a one-dimensional metal

PHYSICAL REVIEW B. 2005 MAY; 71 (20): Art. No. 205114

108

4689

4613 Homem-de-Mello P, Mennucci B, Tomasi J, da Silva ABF

The effects of solvation in the theoretical spectra of cationic dyes

THEORETICAL CHEMISTRY ACCOUNTS. 2005 JUN; 113 (5): 274-280

4690

4614 Gruszecki WI, Stiel H, Niedzwiedzki D, Beck A, Milanowska J, et al.

Towards elucidating the energy of the first excited singlet state of xanthophyll cycle pigments by X-ray absorption spectroscopy

BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS. 2005 JUN 1; 1708 (1): 102-107

Date / Author / Journal

LCS

GCS

LCR

4691

4615 Yamamoto T, Lee BL, Nurulla I, Yasuda T, Yamaguchi I, et al.

Transfer of photoenergy in pi-conjugated polymers. Two types of photoluminescence that involve energy transfer along a polymer chain

JOURNAL OF PHYSICAL CHEMISTRY B. 2005 JUN 2; 109 (21): 10605-10610

4692

4616 Ping HA, Shimoi Y, Abe S

Charge-induced spin alignment in diradical donor molecules: Numerical calculations of correlated many-electron-spin systems

JOURNAL OF CHEMICAL PHYSICS. 2005 JUN 22; 122 (24): Art. No. 244324

4693

4617 Olkhov YA, Jurkowski B

On the more informative version of thermomechanical analysis at compression mode - A review

JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY. 2005 JUL; 81 (2): 489-500

4694

4618 Kwak NS, Yang YK, Jeong BY, Hwang TS

Synthesis and properties of polyester system polyurethane without solvent

POLYMER-KOREA. 2005 JUL; 29 (4): 344-349

4695

4619 Mineva T

Third-order energy derivative corrections to the Kohn-Sham orbital hardness tensor

JOURNAL OF CHEMICAL SCIENCES. 2005 SEP; 117 (5): 485-490

4696

4620 Huai P, Shimoi Y, Abe S

Theory of photoinduced high-spin states in organic molecules

PHYSICAL REVIEW B. 2005 SEP; 72 (9): Art. No. 094413

4697

4621 Hiberty PC, Shaik S

Some answers to frequently asked questions about the distortive tendencies of pi-electronic system

THEORETICAL CHEMISTRY ACCOUNTS. 2005 SEP; 114 (1-3): 169-181

4698

4623 Xiang JF, Rondonuwu FS, Kakitani Y, Fujii R, Watanabe Y, et al.

Mechanisms of electron injection from retinoic acid and carotenoic acids to TiO2 nanoparticles and charge recombination via the T-1 state as determined by subpicosecond to microsecond time-resolved absorption spectroscopy: Dependence on the conjugation length

JOURNAL OF PHYSICAL CHEMISTRY B. 2005 SEP 15; 109 (36): 17066-17077

4699

4624 Huai P, Shimoi Y, Abe S

Optical and electronic control of spin-alignment in molecular magnets

SYNTHETIC METALS. 2005 SEP 20; 152 (1-3): 469-472

4700

4625 Cyranski MK

Energetic aspects of cyclic Pi-electron delocalization: Evaluation of the methods of estimating aromatic stabilization energies

CHEMICAL REVIEWS. 2005 OCT; 105 (10): 3773-3811

168

565

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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