HistCite - papers citing Rudy Pariser

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#	Date / Author / Journal	LCS	GCS	LCR	CR
2701	3848 VILLESUZANNE A, HOARAU J, DUCASSE L, OLMEDO L, HOURQUEBIE P PI-ELECTRON CALCULATIONS OF POLARIZABILITIES IN CONJUGATED SYSTEMS JOURNAL OF CHEMICAL PHYSICS. 1992 JAN 1; 96 (1): 495-503	1	22	9	57
2702	3862 STORTI G, POLOTTI G, COCIANI M, MORBIDELLI M MOLECULAR-WEIGHT DISTRIBUTION IN EMULSION POLYMERIZATION .1. THE HOMOPOLYMER CASE JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY. 1992 APR; 30 (5): 731-750	1	26	2	18
2703	3868 ZALIS S, KERTESZ M THE EFFECT OF SIDE-GROUP SUBSTITUTION ON THE ENERGY GAPS OF PHENYLENE AND THIENYLENE OLIGOMERS AND POLYMERS SYNTHETIC METALS. 1992 MAY; 47 (2): 179-186	1	16	7	33
2704	3869 SHAPAKIN SY, SAFRONOV AI, CHIBISOVA TA, TRAVEN VF ELECTRONIC-STRUCTURE OF PI-SYSTEMS .13. PHOTOELECTRON AND ELECTRON ABSORPTION-SPECTRA OF BENZATHRONE DERIVATIVES ZHURNAL OBSHCHEI KHIMII. 1992 MAY; 62 (5): 1158-1164	1	2	3	17
2705	3880 KHAN ZH A THEORETICAL-STUDY OF ELECTRONIC-SPECTRA OF RADICAL CATIONS OF SOME DIHYDROXYNAPHTHALENES INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1992 JUN 20; 42 (6): 1717-1735	1	4	6	27
2706	3881 VINETTE F QUASI-SPIN SYMMETRY FOR THE DERIVATION OF COUPLED CLUSTER EQUATIONS FOR THE HUBBARD-MODEL OF BENZENE INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1992 JUN 20; 42 (6): 1737-1746	1	4	16	48
2707	3882 ANDREEV VA, PRILUTSKII YI THEORY OF SPIN-LATTICE RELAXATION IN TRIPLET EXCITED-STATES OF DOPED MOLECULAR-CRYSTALS BASED ON THE FINE-STRUCTURE TENSOR MODULATION BY INTRAMOLECULAR VIBRATIONS FIZIKA TVERDOGO TELA. 1992 JUL; 34 (7): 2204-2212	1	4	3	21
2708	3892 TAKENAKA K, HIRAO A, NAKAHAMA S POLYMERIZATION OF MONOMERS CONTAINING FUNCTIONAL SILYL GROUPS .12. FREE-RADICAL POLYMERIZATION OF 2-SILYL-SUBSTITUTED 1,3-BUTADIENES MAKROMOLEKULARE CHEMIE-MACROMOLECULAR CHEMISTRY AND PHYSICS. 1992 AUG; 193 (8): 1943-1953	1	10	1	14
2709	3901 KATAOKA M, NAKAJIMA T EFFECTS OF ELECTRON-WITHDRAWING SUBSTITUENTS ON BOND ALTERNATIONS IN PENTALENE AND HEPTALENE BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1992 SEP; 65 (9): 2371-2374	1	3	6	22
2710	3910 JUG K, KRACK M CONSISTENT PARAMETRIZATION OF SEMIEMPIRICAL MO METHODS INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1992 OCT 15; 44 (4): 517-531	1	17	6	41
#	Date / Author / Journal	LCS	GCS	LCR	CR
2711	3915 SAFRONOV AI, SAFRONOVA OB, CHIBISOVA TA, TRAVEN VF ELECTRONIC-STRUCTURE OF PI-SYSTEMS .14. COMPUTATION OF ELECTRONIC- SPECTRA OF POLYCYCLOQUINONE DYES ABSORPTION VIA PPP-KV TECHNIQUE ZHURNAL OBSHCHEI KHIMII. 1992 NOV; 62 (11): 2616-2621	1	4	3	17
2712	3917 CRAW JS, REIMERS JR, BACSKAY GB, WONG AT, HUSH NS SOLITONS IN FINITE-LENGTH AND INFINITE-LENGTH NEGATIVE-DEFECT TRANSPOLYACETYLENE AND THE CORRESPONDING BROOKER (POLYMETHINECYANINE) CATIONS .1. GEOMETRY CHEMICAL PHYSICS. 1992 NOV 1; 167 (1-2): 77-99	1	41	8	85
2713	3918 CRAW JS, REIMERS JR, BACSKAY GB, WONG AT, HUSH NS SOLITONS IN FINITE-LENGTH AND INFINITE-LENGTH NEGATIVE-DEFECT TRANSPOLYACETYLENE AND THE CORRESPONDING BROOKER (POLYMETHINECYANINE) CATIONS .2. CHARGE-DENSITY WAVE CHEMICAL PHYSICS. 1992 NOV 1; 167 (1-2): 101-109	1	30	3	22
2714	3930 WIJEKOON WMKP, HO ZZ, MULL MW, PADMABANDU GG, HETHERINGTON WM 2ND-HARMONIC GENERATION SPECTROSCOPY OF CINNAMIC ACID ADSORBED ON SILICA SURFACES JOURNAL OF PHYSICAL CHEMISTRY. 1992 DEC 10; 96 (25): 10450-10453	1	9	6	40
2715	3931 MAN KF, TRAJMAR S, MCCONKEY JW, RATLIFF JM, KHAKOO M EXCITATION OF ANTHRACENE (C14H10) BY ELECTRON-IMPACT JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS. 1992 DEC 14; 25 (23): 5245-5256	1	3	10	37
2716	3940 NAKASHIMA K, TANAKA I PHENANTHRENE AND TRIPHENYLENE AS FLUORESCENCE PROBES FOR MICELLAR SYSTEMS LANGMUIR. 1993 JAN; 9 (1): 90-95	1	16	5	40
2717	3963 WILLAIME F, FALICOV LM SPIN-DENSITY WAVE, CHARGE-DENSITY WAVE, AND POLARIZABILITIES OF C-60 IN THE PARISER-PARR-POPLE MODEL JOURNAL OF CHEMICAL PHYSICS. 1993 APR 15; 98 (8): 6369-6376	1	27	9	56
2718	3965 PILCH M, PAWLIKOWSKI M, MORTENSEN OS MAGNETIC CIRCULAR-DICHROISM (MCD) STUDY OF LOW-ENERGY AG-1-](1)T(1U) TRANSITIONS IN FULLERENE CHEMICAL PHYSICS. 1993 MAY 15; 172 (2-3): 277-283	1	16	5	19
2719	3990 ALEKSANDROVSKY AS, KARPOV SV, MYSLIVETS SA, POPOV AK, SLABKO VV NONLINEAR-OPTICAL PROPERTIES OF VAPORS OF UNSATURATED-HYDROCARBONS AND VUV GENERATION JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS. 1993 SEP 14; 26 (17): 2965-2975	1	10	5	27
2720	3993 GUTTLER F, SEPIOL J, PLAKHOTNIK T, MITTERDORFER A, RENN A, et al. SINGLE-MOLECULE SPECTROSCOPY - FLUORESCENCE EXCITATION-SPECTRA WITH POLARIZED-LIGHT JOURNAL OF LUMINESCENCE. 1993 OCT; 56 (1-6): 29-38	1	45	3	29
#	Date / Author / Journal	LCS	GCS	LCR	CR
2721	3999 WRACHTRUP J, VONBORCZYSKOWSKI C, BERNARD J, ORRIT M, BROWN R OPTICALLY DETECTED SPIN COHERENCE OF SINGLE MOLECULES PHYSICAL REVIEW LETTERS. 1993 NOV 22; 71 (21): 3565-3568	1	47	2	17
2722	4005 RUBNER O, FORNER W, LADIK J INVESTIGATION OF SOLITON DYNAMICS IN EXCITED POLYACETYLENE SYNTHETIC METALS. 1993 DEC 15; 61 (3): 279-289	1	4	6	35
2723	4006 CHENG WD, HUANG JS, ZHANG QE ELECTRONIC-STRUCTURE OF THE GROUND-STATE AND CALCULATED SPECTRUM OF LOW-LYING EXCITED-STATES OF MO(3)X(4)(AQ)(9)(4+) (X=O, S) CLUSTER IONS CHEMICAL PHYSICS LETTERS. 1993 DEC 31; 216 (3-6): 353-358	1	1	3	23
2724	4024 DIETZ F, MULLEN K, BAUMGARTEN M, TYUTYULKOV N BAND-STRUCTURE OF QUASI-1-DIMENSIONAL POLYCONDENSED PI-SYSTEMS .3. ENERGY-SPECTRA OF ANTIAROMATIC POLYMERS MACROMOLECULAR THEORY AND SIMULATIONS. 1994 JAN; 3 (1): 241-253	1	5	6	39
2725	4026 SWIDEREK P, FRASER MJ, MICHAUD M, SANCHE L ELECTRON-ENERGY-LOSS SPECTROSCOPY OF THE LOW-LYING TRIPLET-STATES OF STYRENE JOURNAL OF CHEMICAL PHYSICS. 1994 JAN 1; 100 (1): 70-77	1	25	12	42
2726	4030 RANDIC M, GUO XF GENERALIZED BOND ORDERS INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1994 JAN 20; 49 (3): 215-237	1	7	5	51
2727	4059 KHANRA TK, MAITI S, ADHIKARI B NEW ACCELERATOR-CUM-ANTIOXIDANTS FOR CHLOROPRENE RUBBER JOURNAL OF POLYMER MATERIALS. 1994 JUN; 11 (2): 135-140	1	1	0	16
2728	4066 MADJAROVA G, BAUMGARTEN M, MULLEN K, TYUTYULKOV N STRUCTURE, ENERGY-SPECTRA AND MAGNETIC-PROPERTIES OF POLY(M-ANILINE)S MACROMOLECULAR THEORY AND SIMULATIONS. 1994 JUL; 3 (4): 803-815	1	11	5	37
2729	4078 CALAIS JL, DEUMENS E, OHRN Y A MODEL FOR ELECTRON-NUCLEAR DYNAMICS OF A MONATOMIC CHAIN JOURNAL OF CHEMICAL PHYSICS. 1994 SEP 1; 101 (5): 3989-4003	1	9	5	43
2730	4080 CHANDRA AK CORRELATION OF HARDNESS WITH BOND ORDER - POLYATOMIC-MOLECULES THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE. 1994 SEP 10; 118 (3): 297-303	1	0	3	37
#	Date / Author / Journal	LCS	GCS	LCR	CR
2731	4082 VALA M, SZCZEPANSKI J, PAUZAT F, PARISEL O, TALBI D, et al. ELECTRONIC AND VIBRATIONAL-SPECTRA OF MATRIX-ISOLATED PYRENE RADICAL CATIONS - THEORETICAL AND EXPERIMENTAL ASPECTS JOURNAL OF PHYSICAL CHEMISTRY. 1994 SEP 15; 98 (37): 9187-9196	1	92	7	55
2732	4086 XU SM, CLARK LB POLARIZED ELECTRONIC-SPECTRA OF SINGLE-CRYSTALS OF GLUTARIMIDE JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1994 OCT 5; 116 (20): 9227-9232	1	9	4	28
2733	4100 BYERS JD, HICKS JM ELECTRONIC SPECTRAL EFFECTS ON CHIRAL SURFACE 2ND-HARMONIC GENERATION CHEMICAL PHYSICS LETTERS. 1994 DEC 23; 231 (2-3): 216-224	1	55	7	23
2734	4110 NAKANO M, YAMAGUCHI K, MATSUZAKI Y, TANAKA K, YAMABE T NUMERICAL LIOUVILLE APPROACH - FORMULATION OF 3RD-ORDER NONLINEAR- OPTICAL SUSCEPTIBILITIES JOURNAL OF CHEMICAL PHYSICS. 1995 FEB 15; 102 (7): 2986-2995	1	22	6	38
2735	4113 NAKANO M, YAMAGUCHI K, MATSUZAKI Y, TANAKA K, YAMABE T NUMERICAL LIOUVILLE APPROACH - 3RD-ORDER NONLINEAR-OPTICAL SUSCEPTIBILITIES IN THG, EFISH AND DFWM CHEMICAL PHYSICS LETTERS. 1995 FEB 17; 233 (4): 411-419	1	8	5	36
2736	4115 QUACK M, KUTZELNIGG W MOLECULAR-SPECTROSCOPY AND MOLECULAR-DYNAMICS - THEORY AND EXPERIMENT BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 1995 MAR; 99 (3): 231-245	1	52	5	294
2737	4126 SIZOVA OV, BARANOVSKI VI INDO PARAMETERS FOR THE ELEMENTS OF THE I-TRANSITION AND II-TRANSITION ROWS JOURNAL OF COMPUTATIONAL CHEMISTRY. 1995 MAY; 16 (5): 586-594	1	20	5	38
2738	4129 MIYAMAE T, KAMIYA K, HASEGAWA S, SEKI K, TANAKA C, et al. ULTRAVIOLET PHOTOELECTRON-SPECTROSCOPY OF ALKALINE-METAL DOPED POLYACETYLENE BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1995 JUL; 68 (7): 1897-1903	1	5	2	34
2739	4134 JACQUEMIN D, CHAMPAGNE B, ANDRE JM MOLECULAR-ORBITAL EXPRESSIONS FOR APPROXIMATE UNCOUPLED HARTREE-FOCK 2ND HYPERPOLARIZABILITIES - A PARISER-PARR-POPLE ASSESSMENT FOR MODEL POLYACETYLENE CHAINS CHEMICAL PHYSICS. 1995 AUG 1; 197 (2): 107-127	1	6	6	58
2740	4143 GELLINI C, SALVI PR, ORLIC N INDUCTIVE EFFECTS IN ALTERNANTS HYDROCARBONS - THE 2-PHOTON SPECTRA OF BIPHENYLENE AND 2,3,6,7-TETRA-ETHYL-BIPHENYLENE CHEMICAL PHYSICS LETTERS. 1995 NOV 24; 246 (3): 335-340	1	4	12	32
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2741	4144 Brondsted H, Hovgaard L, Simonsen L Dextran hydrogels for colon-specific drug delivery .2. Synthesis and characterization EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS. 1995 DEC; 41 (6): 341-345	1	8	3	17
2742	4150 Ochsner M Photodynamic therapy of tumours: Value of quantum chemical procedures for characterization of new drugs. Prediction of the electronic structure of zinc(II) phthalocyanine with special emphasis on triplet state excitation energies EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY. 1996; 31 (12): 939-950	1	3	9	61
2743	4163 Ito H, Kameshima H, Shibuya T Equations-of-motion method for the spin-orbit coupling of aromatic molecules: Application to the phosphorescence lifetime of benzene JOURNAL OF CHEMICAL PHYSICS. 1996 JAN 22; 104 (4): 1309-1324	1	6	7	56
2744	4179 Etzlstorfer C, Falk H, Muller N, Tran TNH Structural aspects and electronic absorption of the hydroxyphenanthroperylene quinones fringelit D, hypericin, and stentorin MONATSHEFTE FUR CHEMIE. 1996 JUN-JUL; 127 (6-7): 659-668	1	13	2	57
2745	4187 BialekBylka GE, Hiyama T, Yumoto K, Koyama Y 15-Cis-beta-carotene found in the reaction center of spinach Photosystem I PHOTOSYNTHESIS RESEARCH. 1996 SEP; 49 (3): 245-250	1	20	1	26
2746	4188 Petelenz P, Slawik M, Yokoi K, Zgierski MZ Theoretical calculation of the electroabsorption spectra of polyacene crystals JOURNAL OF CHEMICAL PHYSICS. 1996 SEP 15; 105 (11): 4427-4440	1	52	6	69
2747	4200 Batra R, Giese B, Spichty M, Gescheidt G, Houk KN Calculations of isotropic hyperfine coupling constants of organic radicals. An evaluation of semiempirical, Hartree-Fock, and density functional methods JOURNAL OF PHYSICAL CHEMISTRY. 1996 NOV 21; 100 (47): 18371-18379	1	75	1	84
2748	4204 Jacquemin D, Champagne B, Andre JM, Kirtman B Exploratory Pariser-Parr-Pople investigation of the static first hyperpolarizability of polymethineimine chains CHEMICAL PHYSICS. 1996 DEC 15; 213 (1-3): 217-228	1	14	14	72
2749	4220 Nalewajski RF Charge response criteria of chemical reactivity: Fukui function indices and populational reference frames reflecting the interreactant charge coupling INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1997 JAN 15; 61 (2): 181-196	1	12	3	38
2750	4236 Hasegawa M, Inomaki Y, Inayoshi T, Hoshi T, Kobayashi M Electronic transitions and electronic structure of bis(tropolonato) copper(II) INORGANICA CHIMICA ACTA. 1997 APR 30; 257 (2): 259-264	1	19	8	21
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2751	4237 Hasegawa M, Yamada Y, Inayoshi T, Kobayashi M, Hoshi T The electronic structure of N,N'-disalicylidene-o-phenylenediamine NIPPON KAGAKU KAISHI. 1997 MAY; (5): 355-364	1	2	11	34
2752	4240 Randic M Resonance in catacondensed benzenoid hydrocarbons INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1997 MAY 20; 63 (2): 585-600	1	30	4	49
2753	4243 Chaudhuri RK, Mudholkar A, Freed KF, Martin CH, Sun HS Application of the effective valence shell Hamiltonian method to accurate estimation of valence and Rydberg states oscillator strengths and excitation energies for pi electron systems JOURNAL OF CHEMICAL PHYSICS. 1997 JUN 8; 106 (22): 9252-9264	1	28	16	114
2754	4244 Beljonne D, OKeefe GE, Hamer PJ, Friend RH, Anderson HL, et al. Investigation of the linear and nonlinear optical response of edge- linked conjugated zinc porphyrin oligomers by optical spectroscopy and configuration interaction techniques JOURNAL OF CHEMICAL PHYSICS. 1997 JUN 15; 106 (23): 9439-9460	1	76	4	54
2755	4245 Fortunelli A, Painelli A Ab initio estimate of Hubbard model parameters: A simple procedure applied to BEDT-TTF salts PHYSICAL REVIEW B. 1997 JUN 15; 55 (24): 16088-16095	1	35	7	67
2756	4255 Senet P Chemical hardnesses of atoms and molecules from frontier orbitals CHEMICAL PHYSICS LETTERS. 1997 SEP 5; 275 (5-6): 527-532	1	19	3	31
2757	4256 Liu SB, DeProft F, Parr RG Simplified models for hardness kernel and calculations of global hardness JOURNAL OF PHYSICAL CHEMISTRY A. 1997 SEP 11; 101 (37): 6991-6997	1	31	2	44
2758	4263 Forner W Comparative application of different approaches for band structure calculations on polyparaphenylene in the Pariser-Parr-Pople model .2. Moller-Plesset and coupled cluster methods PHYSICA SCRIPTA. 1997 NOV; 56 (5): 506-526	1	2	18	155
2759	4266 Bohm MC, Schulte J, Schutt J, SchedelNiedrig T, Werner H, et al. BaxC60 fullerides: pi electronic peculiarities of the C-60 molecule and their consequences for the solid state INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1997 NOV 15; 65 (4): 333-373	1	9	8	87
2760	4272 Schutt J, Bohm MC Convergence behaviour of Green's function quantum Monte Carlo simulations of pi electron systems MOLECULAR PHYSICS. 1997 DEC 20; 92 (6): 997-1005	1	1	6	32
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2761	4274 Cheng WD, Huang JS, Lu JX Electronic structures and nonlinear optical coefficients of beta-BaB2O4 PHYSICAL REVIEW B. 1998 JAN 15; 57 (3): 1527-1533	1	15	8	28
2762	4283 Takahashi O, Watanabe M, Kikuchi O Structure of the T-1-state wave function of linear polyenes INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1998 MAR 15; 67 (2): 101-106	1	6	6	37
2763	4292 Pariser R Creativity at the crossroads between science and technology CHEMTECH. 1998 JUN; 28 (6): 48-54	1	1	7	34
2764	4297 Ivashin N, Kallebring B, Larsson S, Hansson O Charge separation in photosynthetic reaction centers JOURNAL OF PHYSICAL CHEMISTRY B. 1998 JUN 18; 102 (25): 5017-5022	1	49	5	78
2765	4299 Lupan L Correlation of molecular properties of some acridine and thiazine dyes in micellar solution with their electronic structure REVUE ROUMAINE DE CHIMIE. 1998 JUL; 43 (7): 671-673	1	1	2	17
2766	4305 Chen GH, Su ZM, Shen ZW, Yan YJ Effective Hamiltonians of polymethineimine, polyazine and polyazoethene: A density matrix variation approach JOURNAL OF CHEMICAL PHYSICS. 1998 AUG 8; 109 (6): 2565-2571	1	13	7	29
2767	4309 Bohm MC, Schutt J, Philipp S New aspects in the theory of pi electron systems on the basis of quantum statistical considerations INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1998 SEP 20; 69 (6): 727-752	1	9	13	59
2768	4311 Balawender R, Komorowski L Atomic Fukui function indices and local softness ab initio JOURNAL OF CHEMICAL PHYSICS. 1998 OCT 1; 109 (13): 5203-5211	1	48	3	36
2769	4312 Anusooya Y, Chakrabarti A, Pati SK, Ramasesha S Ring currents in condensed ring systems INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1998 OCT 5; 70 (3): 503-513	1	27	3	26
2770	4314 Kuroda S, Shimoi Y, Abe S, Noguchi T, Ohnishi T Electron-nuclear double-resonance spectra of polarons in poly(paraphenylene vinylene) JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN. 1998 NOV; 67 (11): 3936-3944	1	12	5	33
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2771	4315 Albert IDL, Marks TJ, Ratner MA Remarkable NLO response and infrared absorption in simple twisted molecular pi-chromophores JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1998 NOV 4; 120 (43): 11174-11181	1	98	16	90
2772	4317 Petuaud-Letang F, Fritsch A, Bignonneau G, Ducasse L Encapsulated spin function for periodic lattices THEORETICAL CHEMISTRY ACCOUNTS. 1998 DEC; 100 (5-6): 314-323	1	2	3	33
2773	4321 Craig D A journey with good companions. Fifty years of quantum chemistry. ADVANCES IN QUANTUM CHEMISTRY, VOL 34. 1999; 34: 1-50	1	1	2	246
2774	4325 Ramasesha S, Tandon K Symmetrized DMRG method for conjugated polymers DENSITY-MATRIX RENORMALIZATION. 1999; 528: 247-260	1	1	6	51
2775	4330 Parkanyi C, Boniface C, Sappok-Stang A, Gutierrez AR, Taha-Bouamri K, et al. An experimental and theoretical study of the photophysical properties and the dipole moments of methoxynitronaphthalenes POLYCYCLIC AROMATIC COMPOUNDS. 1999; 13 (1): 55-77	1	2	6	44
2776	4337 Kobayashi N, Miwa H, Isago H, Tomura T An adjacent dibenzotetraazaporphyrin: A structural intermediate between tetraazaporphyrin and phthalocyanine INORGANIC CHEMISTRY. 1999 FEB 8; 38 (3): 479-485	1	28	7	47
2777	4342 Lin QS, Cheng WD, Chen JT, Huang JS Crystal and electronic structures and linear optics of strontium pyroborate JOURNAL OF SOLID STATE CHEMISTRY. 1999 APR; 144 (1): 30-34	1	11	3	21
2778	4345 Castleton C, Barford W Optimal parameterisation of the Pariser-Parr-Pople model for benzene, bi-phenyl and trans-stilbene. SYNTHETIC METALS. 1999 MAY; 101 (1-3): 520-521	1	1	5	12
2779	4346 Tom CM, Kane MP Management of toenail onychomycosis AMERICAN JOURNAL OF HEALTH-SYSTEM PHARMACY. 1999 MAY 1; 56 (9): 865-871	1	20	0	33
2780	4356 Hasegawa M, Yamada Y, Kumagai K, Hoshi T Electronic structure of 2,6-bis{N-(2-hydroxyphenyl)iminomethyl}-4- methylphenol ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES. 1999 JUL; 54 (7): 929-939	1	5	7	29
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2781	4363 Kobayashi N, Ishizaki T, Ishii K, Konami H Synthesis, spectroscopy, and molecular orbital calculations of subazaporphyrins, subphthalocyanines, subnaphthalocyanines, and compounds derived therefrom by ring expansion JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1999 OCT 6; 121 (39): 9096-9110	1	132	5	87
2782	4366 Tretiak S, Zhang WM, Chernyak V, Mukamel S Excitonic couplings and electronic coherence in bridged naphthalene dimers PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA. 1999 NOV 9; 96 (23): 13003-13008	1	34	10	72
2783	4367 Ito H Polarizability tensor theory based upon a Bayley-Nielsen-Schellman-type model Hamiltonian: Circular dichroism calculations of polypeptides JOURNAL OF CHEMICAL PHYSICS. 1999 NOV 15; 111 (19): 9093-9110	1	3	5	75
2784	4375 Zivkovic TP, Schmalz TG, Klein DJ Isoresonant benzenoids POLYCYCLIC AROMATIC COMPOUNDS. 2000; 18 (1): 13-24	1	6	5	20
2785	4381 Martin-Delgado MA, Sierra G, Pleutin S, Jeckelmann E Matrix-product approach to conjugated polymers PHYSICAL REVIEW B. 2000 JAN 15; 61 (3): 1841-1846	1	3	4	30
2786	4391 Nalewajski RF Coupling relations between molecular electronic and geometrical degrees of freedom in density functional theory and charge sensitivity analysis COMPUTERS & CHEMISTRY. 2000 MAY; 24 (3-4): 243-257	1	17	7	64
2787	4393 Tyutyulkov N, Dietz F, Mullen K Magnetic exchange interaction between pi-electron radicals adsorbed on graphites CHEMICAL PHYSICS. 2000 MAY 1; 255 (2-3): 223-236	1	2	7	66
2788	4397 Catani L, Gellini C, Moroni L, Salvi PR Two-photon fluorescence excitation spectrum of 1,6-methano-[10]annulene JOURNAL OF PHYSICAL CHEMISTRY A. 2000 JUL 20; 104 (28): 6566-6572	1	3	13	46
2789	4403 Kobayashi N, Fukuda T, Lelievre D Band deconvolution analysis of the absorption and magnetic circular dichroism spectral data of a planar phthalocyanine dimer INORGANIC CHEMISTRY. 2000 AUG 7; 39 (16): 3632-3637	1	33	4	39
2790	4404 Bohm MC, Saal C Quantum statistical analysis of superconductivity, fractional quantum Hall effect, and aromaticity INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2000 AUG 15; 79 (3): 125-162	1	10	10	121
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2791	4422 Yatsenko AV, Paseshnichenko KA On the performance of semiempirical MO theory for dipole moments of dye molecules JOURNAL OF MOLECULAR MODELING. 2001; 7 (10): 384-391	1	5	7	53
2792	4425 Dietz F, Tyutyulkov N Photoswitching of the magnetic properties of one-dimensional pi- electron systems - Part II. Conjugated polymers with di-hetarylethene and benzyldene-antrone fragments in the elementary units PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 2001; 3 (20): 4600-4605	1	5	4	46
2793	4430 Megelski S, Lieb A, Pauchard M, Drechsler A, Glaus S, et al. Orientation of fluorescent dyes in the nano channels of zeolite L JOURNAL OF PHYSICAL CHEMISTRY B. 2001 JAN 11; 105 (1): 25-35	1	79	3	43
2794	4431 Cui Q, Elstner M, Kaxiras E, Frauenheim T, Karplus M A QM/MM implementation of the self-consistent charge density functional tight binding (SCC-DFTB) method JOURNAL OF PHYSICAL CHEMISTRY B. 2001 JAN 18; 105 (2): 569-585	1	258	6	91
2795	4439 Rodgers P, Bassler M Treating onychomycosis AMERICAN FAMILY PHYSICIAN. 2001 FEB 15; 63 (4): 663-672	1	10	0	43
2796	4440 Kobayashi N, Konami H Molecular orbitals and electronic spectra of benzo-fused and related porphyrin analogues JOURNAL OF PORPHYRINS AND PHTHALOCYANINES. 2001 MAR; 5 (3): 233-255	1	30	7	60
2797	4453 Reimers JR, Hush NS The need for quantum-mechanical treatment of capacitance and related properties of nanoelectrodes JOURNAL OF PHYSICAL CHEMISTRY B. 2001 SEP 20; 105 (37): 8979-8988	1	20	6	39
2798	4458 Dolan PM, Miller D, Cogdell RJ, Birge RR, Frank HA Linear dichroism and the transition dipole moment orientation of the carotenoid in the LH2 antenna complex in membranes of Rhodopseudomonas acidophila strain 10050 JOURNAL OF PHYSICAL CHEMISTRY B. 2001 DEC 6; 105 (48): 12134-12142	1	22	5	59
2799	4472 Tyutyulkov N, Baumgarten M, Dietz F Polaronic high-spin pi-conjugated 1-D polymers with polymethine radicals within the elementary units CHEMICAL PHYSICS LETTERS. 2002 FEB 19; 353 (3-4): 231-238	1	5	4	36
2800	4473 Schaper K, Mobarekeh SAM, Grewer C Synthesis and photophysical characterization of a new, highly hydrophilic caging group EUROPEAN JOURNAL OF ORGANIC CHEMISTRY. 2002 MAR; (6): 1037-1046	1	16	1	76

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2701

3848 VILLESUZANNE A, HOARAU J, DUCASSE L, OLMEDO L, HOURQUEBIE P

PI-ELECTRON CALCULATIONS OF POLARIZABILITIES IN CONJUGATED SYSTEMS

JOURNAL OF CHEMICAL PHYSICS. 1992 JAN 1; 96 (1): 495-503

2702

3862 STORTI G, POLOTTI G, COCIANI M, MORBIDELLI M

MOLECULAR-WEIGHT DISTRIBUTION IN EMULSION POLYMERIZATION .1. THE HOMOPOLYMER CASE

JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY. 1992 APR; 30 (5): 731-750

2703

3868 ZALIS S, KERTESZ M

THE EFFECT OF SIDE-GROUP SUBSTITUTION ON THE ENERGY GAPS OF PHENYLENE AND THIENYLENE OLIGOMERS AND POLYMERS

SYNTHETIC METALS. 1992 MAY; 47 (2): 179-186

2704

3869 SHAPAKIN SY, SAFRONOV AI, CHIBISOVA TA, TRAVEN VF

ELECTRONIC-STRUCTURE OF PI-SYSTEMS .13. PHOTOELECTRON AND ELECTRON ABSORPTION-SPECTRA OF BENZATHRONE DERIVATIVES

ZHURNAL OBSHCHEI KHIMII. 1992 MAY; 62 (5): 1158-1164

2705

3880 KHAN ZH

A THEORETICAL-STUDY OF ELECTRONIC-SPECTRA OF RADICAL CATIONS OF SOME DIHYDROXYNAPHTHALENES

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1992 JUN 20; 42 (6): 1717-1735

2706

3881 VINETTE F

QUASI-SPIN SYMMETRY FOR THE DERIVATION OF COUPLED CLUSTER EQUATIONS FOR THE HUBBARD-MODEL OF BENZENE

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1992 JUN 20; 42 (6): 1737-1746

2707

3882 ANDREEV VA, PRILUTSKII YI

THEORY OF SPIN-LATTICE RELAXATION IN TRIPLET EXCITED-STATES OF DOPED MOLECULAR-CRYSTALS BASED ON THE FINE-STRUCTURE TENSOR MODULATION BY INTRAMOLECULAR VIBRATIONS

FIZIKA TVERDOGO TELA. 1992 JUL; 34 (7): 2204-2212

2708

3892 TAKENAKA K, HIRAO A, NAKAHAMA S

POLYMERIZATION OF MONOMERS CONTAINING FUNCTIONAL SILYL GROUPS .12. FREE-RADICAL POLYMERIZATION OF 2-SILYL-SUBSTITUTED 1,3-BUTADIENES

MAKROMOLEKULARE CHEMIE-MACROMOLECULAR CHEMISTRY AND PHYSICS. 1992 AUG; 193 (8): 1943-1953

2709

3901 KATAOKA M, NAKAJIMA T

EFFECTS OF ELECTRON-WITHDRAWING SUBSTITUENTS ON BOND ALTERNATIONS IN PENTALENE AND HEPTALENE

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1992 SEP; 65 (9): 2371-2374

2710

3910 JUG K, KRACK M

CONSISTENT PARAMETRIZATION OF SEMIEMPIRICAL MO METHODS

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1992 OCT 15; 44 (4): 517-531

Date / Author / Journal

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2711

3915 SAFRONOV AI, SAFRONOVA OB, CHIBISOVA TA, TRAVEN VF

ELECTRONIC-STRUCTURE OF PI-SYSTEMS .14. COMPUTATION OF ELECTRONIC- SPECTRA OF POLYCYCLOQUINONE DYES ABSORPTION VIA PPP-KV TECHNIQUE

ZHURNAL OBSHCHEI KHIMII. 1992 NOV; 62 (11): 2616-2621

2712

3917 CRAW JS, REIMERS JR, BACSKAY GB, WONG AT, HUSH NS

SOLITONS IN FINITE-LENGTH AND INFINITE-LENGTH NEGATIVE-DEFECT TRANSPOLYACETYLENE AND THE CORRESPONDING BROOKER (POLYMETHINECYANINE) CATIONS .1. GEOMETRY

CHEMICAL PHYSICS. 1992 NOV 1; 167 (1-2): 77-99

2713

3918 CRAW JS, REIMERS JR, BACSKAY GB, WONG AT, HUSH NS

SOLITONS IN FINITE-LENGTH AND INFINITE-LENGTH NEGATIVE-DEFECT TRANSPOLYACETYLENE AND THE CORRESPONDING BROOKER (POLYMETHINECYANINE) CATIONS .2. CHARGE-DENSITY WAVE

CHEMICAL PHYSICS. 1992 NOV 1; 167 (1-2): 101-109

2714

3930 WIJEKOON WMKP, HO ZZ, MULL MW, PADMABANDU GG, HETHERINGTON WM

2ND-HARMONIC GENERATION SPECTROSCOPY OF CINNAMIC ACID ADSORBED ON SILICA SURFACES

JOURNAL OF PHYSICAL CHEMISTRY. 1992 DEC 10; 96 (25): 10450-10453

2715

3931 MAN KF, TRAJMAR S, MCCONKEY JW, RATLIFF JM, KHAKOO M

EXCITATION OF ANTHRACENE (C14H10) BY ELECTRON-IMPACT

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS. 1992 DEC 14; 25 (23): 5245-5256

2716

3940 NAKASHIMA K, TANAKA I

PHENANTHRENE AND TRIPHENYLENE AS FLUORESCENCE PROBES FOR MICELLAR SYSTEMS

LANGMUIR. 1993 JAN; 9 (1): 90-95

2717

3963 WILLAIME F, FALICOV LM

SPIN-DENSITY WAVE, CHARGE-DENSITY WAVE, AND POLARIZABILITIES OF C-60 IN THE PARISER-PARR-POPLE MODEL

JOURNAL OF CHEMICAL PHYSICS. 1993 APR 15; 98 (8): 6369-6376

2718

3965 PILCH M, PAWLIKOWSKI M, MORTENSEN OS

MAGNETIC CIRCULAR-DICHROISM (MCD) STUDY OF LOW-ENERGY AG-1-](1)T(1U) TRANSITIONS IN FULLERENE

CHEMICAL PHYSICS. 1993 MAY 15; 172 (2-3): 277-283

2719

3990 ALEKSANDROVSKY AS, KARPOV SV, MYSLIVETS SA, POPOV AK, SLABKO VV

NONLINEAR-OPTICAL PROPERTIES OF VAPORS OF UNSATURATED-HYDROCARBONS AND VUV GENERATION

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS. 1993 SEP 14; 26 (17): 2965-2975

2720

3993 GUTTLER F, SEPIOL J, PLAKHOTNIK T, MITTERDORFER A, RENN A, et al.

SINGLE-MOLECULE SPECTROSCOPY - FLUORESCENCE EXCITATION-SPECTRA WITH POLARIZED-LIGHT

JOURNAL OF LUMINESCENCE. 1993 OCT; 56 (1-6): 29-38

Date / Author / Journal

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2721

3999 WRACHTRUP J, VONBORCZYSKOWSKI C, BERNARD J, ORRIT M, BROWN R

OPTICALLY DETECTED SPIN COHERENCE OF SINGLE MOLECULES

PHYSICAL REVIEW LETTERS. 1993 NOV 22; 71 (21): 3565-3568

2722

4005 RUBNER O, FORNER W, LADIK J

INVESTIGATION OF SOLITON DYNAMICS IN EXCITED POLYACETYLENE

SYNTHETIC METALS. 1993 DEC 15; 61 (3): 279-289

2723

4006 CHENG WD, HUANG JS, ZHANG QE

ELECTRONIC-STRUCTURE OF THE GROUND-STATE AND CALCULATED SPECTRUM OF LOW-LYING EXCITED-STATES OF MO(3)X(4)(AQ)(9)(4+) (X=O, S) CLUSTER IONS

CHEMICAL PHYSICS LETTERS. 1993 DEC 31; 216 (3-6): 353-358

2724

4024 DIETZ F, MULLEN K, BAUMGARTEN M, TYUTYULKOV N

BAND-STRUCTURE OF QUASI-1-DIMENSIONAL POLYCONDENSED PI-SYSTEMS .3. ENERGY-SPECTRA OF ANTIAROMATIC POLYMERS

MACROMOLECULAR THEORY AND SIMULATIONS. 1994 JAN; 3 (1): 241-253

2725

4026 SWIDEREK P, FRASER MJ, MICHAUD M, SANCHE L

ELECTRON-ENERGY-LOSS SPECTROSCOPY OF THE LOW-LYING TRIPLET-STATES OF STYRENE

JOURNAL OF CHEMICAL PHYSICS. 1994 JAN 1; 100 (1): 70-77

2726

4030 RANDIC M, GUO XF

GENERALIZED BOND ORDERS

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1994 JAN 20; 49 (3): 215-237

2727

4059 KHANRA TK, MAITI S, ADHIKARI B

NEW ACCELERATOR-CUM-ANTIOXIDANTS FOR CHLOROPRENE RUBBER

JOURNAL OF POLYMER MATERIALS. 1994 JUN; 11 (2): 135-140

2728

4066 MADJAROVA G, BAUMGARTEN M, MULLEN K, TYUTYULKOV N

STRUCTURE, ENERGY-SPECTRA AND MAGNETIC-PROPERTIES OF POLY(M-ANILINE)S

MACROMOLECULAR THEORY AND SIMULATIONS. 1994 JUL; 3 (4): 803-815

2729

4078 CALAIS JL, DEUMENS E, OHRN Y

A MODEL FOR ELECTRON-NUCLEAR DYNAMICS OF A MONATOMIC CHAIN

JOURNAL OF CHEMICAL PHYSICS. 1994 SEP 1; 101 (5): 3989-4003

2730

4080 CHANDRA AK

CORRELATION OF HARDNESS WITH BOND ORDER - POLYATOMIC-MOLECULES

THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE. 1994 SEP 10; 118 (3): 297-303

Date / Author / Journal

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2731

4082 VALA M, SZCZEPANSKI J, PAUZAT F, PARISEL O, TALBI D, et al.

ELECTRONIC AND VIBRATIONAL-SPECTRA OF MATRIX-ISOLATED PYRENE RADICAL CATIONS - THEORETICAL AND EXPERIMENTAL ASPECTS

JOURNAL OF PHYSICAL CHEMISTRY. 1994 SEP 15; 98 (37): 9187-9196

2732

4086 XU SM, CLARK LB

POLARIZED ELECTRONIC-SPECTRA OF SINGLE-CRYSTALS OF GLUTARIMIDE

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1994 OCT 5; 116 (20): 9227-9232

2733

4100 BYERS JD, HICKS JM

ELECTRONIC SPECTRAL EFFECTS ON CHIRAL SURFACE 2ND-HARMONIC GENERATION

CHEMICAL PHYSICS LETTERS. 1994 DEC 23; 231 (2-3): 216-224

2734

4110 NAKANO M, YAMAGUCHI K, MATSUZAKI Y, TANAKA K, YAMABE T

NUMERICAL LIOUVILLE APPROACH - FORMULATION OF 3RD-ORDER NONLINEAR- OPTICAL SUSCEPTIBILITIES

JOURNAL OF CHEMICAL PHYSICS. 1995 FEB 15; 102 (7): 2986-2995

2735

4113 NAKANO M, YAMAGUCHI K, MATSUZAKI Y, TANAKA K, YAMABE T

NUMERICAL LIOUVILLE APPROACH - 3RD-ORDER NONLINEAR-OPTICAL SUSCEPTIBILITIES IN THG, EFISH AND DFWM

CHEMICAL PHYSICS LETTERS. 1995 FEB 17; 233 (4): 411-419

2736

4115 QUACK M, KUTZELNIGG W

MOLECULAR-SPECTROSCOPY AND MOLECULAR-DYNAMICS - THEORY AND EXPERIMENT

BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 1995 MAR; 99 (3): 231-245

294

2737

4126 SIZOVA OV, BARANOVSKI VI

INDO PARAMETERS FOR THE ELEMENTS OF THE I-TRANSITION AND II-TRANSITION ROWS

JOURNAL OF COMPUTATIONAL CHEMISTRY. 1995 MAY; 16 (5): 586-594

2738

4129 MIYAMAE T, KAMIYA K, HASEGAWA S, SEKI K, TANAKA C, et al.

ULTRAVIOLET PHOTOELECTRON-SPECTROSCOPY OF ALKALINE-METAL DOPED POLYACETYLENE

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1995 JUL; 68 (7): 1897-1903

2739

4134 JACQUEMIN D, CHAMPAGNE B, ANDRE JM

MOLECULAR-ORBITAL EXPRESSIONS FOR APPROXIMATE UNCOUPLED HARTREE-FOCK 2ND HYPERPOLARIZABILITIES - A PARISER-PARR-POPLE ASSESSMENT FOR MODEL POLYACETYLENE CHAINS

CHEMICAL PHYSICS. 1995 AUG 1; 197 (2): 107-127

2740

4143 GELLINI C, SALVI PR, ORLIC N

INDUCTIVE EFFECTS IN ALTERNANTS HYDROCARBONS - THE 2-PHOTON SPECTRA OF BIPHENYLENE AND 2,3,6,7-TETRA-ETHYL-BIPHENYLENE

CHEMICAL PHYSICS LETTERS. 1995 NOV 24; 246 (3): 335-340

Date / Author / Journal

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2741

4144 Brondsted H, Hovgaard L, Simonsen L

Dextran hydrogels for colon-specific drug delivery .2. Synthesis and characterization

EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS. 1995 DEC; 41 (6): 341-345

2742

4150 Ochsner M

Photodynamic therapy of tumours: Value of quantum chemical procedures for characterization of new drugs. Prediction of the electronic structure of zinc(II) phthalocyanine with special emphasis on triplet state excitation energies

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY. 1996; 31 (12): 939-950

2743

4163 Ito H, Kameshima H, Shibuya T

Equations-of-motion method for the spin-orbit coupling of aromatic molecules: Application to the phosphorescence lifetime of benzene

JOURNAL OF CHEMICAL PHYSICS. 1996 JAN 22; 104 (4): 1309-1324

2744

4179 Etzlstorfer C, Falk H, Muller N, Tran TNH

Structural aspects and electronic absorption of the hydroxyphenanthroperylene quinones fringelit D, hypericin, and stentorin

MONATSHEFTE FUR CHEMIE. 1996 JUN-JUL; 127 (6-7): 659-668

2745

4187 BialekBylka GE, Hiyama T, Yumoto K, Koyama Y

15-Cis-beta-carotene found in the reaction center of spinach Photosystem I

PHOTOSYNTHESIS RESEARCH. 1996 SEP; 49 (3): 245-250

2746

4188 Petelenz P, Slawik M, Yokoi K, Zgierski MZ

Theoretical calculation of the electroabsorption spectra of polyacene crystals

JOURNAL OF CHEMICAL PHYSICS. 1996 SEP 15; 105 (11): 4427-4440

2747

4200 Batra R, Giese B, Spichty M, Gescheidt G, Houk KN

Calculations of isotropic hyperfine coupling constants of organic radicals. An evaluation of semiempirical, Hartree-Fock, and density functional methods

JOURNAL OF PHYSICAL CHEMISTRY. 1996 NOV 21; 100 (47): 18371-18379

2748

4204 Jacquemin D, Champagne B, Andre JM, Kirtman B

Exploratory Pariser-Parr-Pople investigation of the static first hyperpolarizability of polymethineimine chains

CHEMICAL PHYSICS. 1996 DEC 15; 213 (1-3): 217-228

2749

4220 Nalewajski RF

Charge response criteria of chemical reactivity: Fukui function indices and populational reference frames reflecting the interreactant charge coupling

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1997 JAN 15; 61 (2): 181-196

2750

4236 Hasegawa M, Inomaki Y, Inayoshi T, Hoshi T, Kobayashi M

Electronic transitions and electronic structure of bis(tropolonato) copper(II)

INORGANICA CHIMICA ACTA. 1997 APR 30; 257 (2): 259-264

Date / Author / Journal

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2751

4237 Hasegawa M, Yamada Y, Inayoshi T, Kobayashi M, Hoshi T

The electronic structure of N,N'-disalicylidene-o-phenylenediamine

NIPPON KAGAKU KAISHI. 1997 MAY; (5): 355-364

2752

4240 Randic M

Resonance in catacondensed benzenoid hydrocarbons

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1997 MAY 20; 63 (2): 585-600

2753

4243 Chaudhuri RK, Mudholkar A, Freed KF, Martin CH, Sun HS

Application of the effective valence shell Hamiltonian method to accurate estimation of valence and Rydberg states oscillator strengths and excitation energies for pi electron systems

JOURNAL OF CHEMICAL PHYSICS. 1997 JUN 8; 106 (22): 9252-9264

114

2754

4244 Beljonne D, OKeefe GE, Hamer PJ, Friend RH, Anderson HL, et al.

Investigation of the linear and nonlinear optical response of edge- linked conjugated zinc porphyrin oligomers by optical spectroscopy and configuration interaction techniques

JOURNAL OF CHEMICAL PHYSICS. 1997 JUN 15; 106 (23): 9439-9460

2755

4245 Fortunelli A, Painelli A

Ab initio estimate of Hubbard model parameters: A simple procedure applied to BEDT-TTF salts

PHYSICAL REVIEW B. 1997 JUN 15; 55 (24): 16088-16095

2756

4255 Senet P

Chemical hardnesses of atoms and molecules from frontier orbitals

CHEMICAL PHYSICS LETTERS. 1997 SEP 5; 275 (5-6): 527-532

2757

4256 Liu SB, DeProft F, Parr RG

Simplified models for hardness kernel and calculations of global hardness

JOURNAL OF PHYSICAL CHEMISTRY A. 1997 SEP 11; 101 (37): 6991-6997

2758

4263 Forner W

Comparative application of different approaches for band structure calculations on polyparaphenylene in the Pariser-Parr-Pople model .2. Moller-Plesset and coupled cluster methods

PHYSICA SCRIPTA. 1997 NOV; 56 (5): 506-526

155

2759

4266 Bohm MC, Schulte J, Schutt J, SchedelNiedrig T, Werner H, et al.

BaxC60 fullerides: pi electronic peculiarities of the C-60 molecule and their consequences for the solid state

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1997 NOV 15; 65 (4): 333-373

2760

4272 Schutt J, Bohm MC

Convergence behaviour of Green's function quantum Monte Carlo simulations of pi electron systems

MOLECULAR PHYSICS. 1997 DEC 20; 92 (6): 997-1005

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2761

4274 Cheng WD, Huang JS, Lu JX

Electronic structures and nonlinear optical coefficients of beta-BaB2O4

PHYSICAL REVIEW B. 1998 JAN 15; 57 (3): 1527-1533

2762

4283 Takahashi O, Watanabe M, Kikuchi O

Structure of the T-1-state wave function of linear polyenes

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1998 MAR 15; 67 (2): 101-106

2763

4292 Pariser R

Creativity at the crossroads between science and technology

CHEMTECH. 1998 JUN; 28 (6): 48-54

2764

4297 Ivashin N, Kallebring B, Larsson S, Hansson O

Charge separation in photosynthetic reaction centers

JOURNAL OF PHYSICAL CHEMISTRY B. 1998 JUN 18; 102 (25): 5017-5022

2765

4299 Lupan L

Correlation of molecular properties of some acridine and thiazine dyes in micellar solution with their electronic structure

REVUE ROUMAINE DE CHIMIE. 1998 JUL; 43 (7): 671-673

2766

4305 Chen GH, Su ZM, Shen ZW, Yan YJ

Effective Hamiltonians of polymethineimine, polyazine and polyazoethene: A density matrix variation approach

JOURNAL OF CHEMICAL PHYSICS. 1998 AUG 8; 109 (6): 2565-2571

2767

4309 Bohm MC, Schutt J, Philipp S

New aspects in the theory of pi electron systems on the basis of quantum statistical considerations

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1998 SEP 20; 69 (6): 727-752

2768

4311 Balawender R, Komorowski L

Atomic Fukui function indices and local softness ab initio

JOURNAL OF CHEMICAL PHYSICS. 1998 OCT 1; 109 (13): 5203-5211

2769

4312 Anusooya Y, Chakrabarti A, Pati SK, Ramasesha S

Ring currents in condensed ring systems

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1998 OCT 5; 70 (3): 503-513

2770

4314 Kuroda S, Shimoi Y, Abe S, Noguchi T, Ohnishi T

Electron-nuclear double-resonance spectra of polarons in poly(paraphenylene vinylene)

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN. 1998 NOV; 67 (11): 3936-3944

Date / Author / Journal

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2771

4315 Albert IDL, Marks TJ, Ratner MA

Remarkable NLO response and infrared absorption in simple twisted molecular pi-chromophores

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1998 NOV 4; 120 (43): 11174-11181

2772

4317 Petuaud-Letang F, Fritsch A, Bignonneau G, Ducasse L

Encapsulated spin function for periodic lattices

THEORETICAL CHEMISTRY ACCOUNTS. 1998 DEC; 100 (5-6): 314-323

2773

4321 Craig D

A journey with good companions. Fifty years of quantum chemistry.

ADVANCES IN QUANTUM CHEMISTRY, VOL 34. 1999; 34: 1-50

246

2774

4325 Ramasesha S, Tandon K

Symmetrized DMRG method for conjugated polymers

DENSITY-MATRIX RENORMALIZATION. 1999; 528: 247-260

2775

4330 Parkanyi C, Boniface C, Sappok-Stang A, Gutierrez AR, Taha-Bouamri K, et al.

An experimental and theoretical study of the photophysical properties and the dipole moments of methoxynitronaphthalenes

POLYCYCLIC AROMATIC COMPOUNDS. 1999; 13 (1): 55-77

2776

4337 Kobayashi N, Miwa H, Isago H, Tomura T

An adjacent dibenzotetraazaporphyrin: A structural intermediate between tetraazaporphyrin and phthalocyanine

INORGANIC CHEMISTRY. 1999 FEB 8; 38 (3): 479-485

2777

4342 Lin QS, Cheng WD, Chen JT, Huang JS

Crystal and electronic structures and linear optics of strontium pyroborate

JOURNAL OF SOLID STATE CHEMISTRY. 1999 APR; 144 (1): 30-34

2778

4345 Castleton C, Barford W

Optimal parameterisation of the Pariser-Parr-Pople model for benzene, bi-phenyl and trans-stilbene.

SYNTHETIC METALS. 1999 MAY; 101 (1-3): 520-521

2779

4346 Tom CM, Kane MP

Management of toenail onychomycosis

AMERICAN JOURNAL OF HEALTH-SYSTEM PHARMACY. 1999 MAY 1; 56 (9): 865-871

2780

4356 Hasegawa M, Yamada Y, Kumagai K, Hoshi T

Electronic structure of 2,6-bis{N-(2-hydroxyphenyl)iminomethyl}-4- methylphenol

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES. 1999 JUL; 54 (7): 929-939

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2781

4363 Kobayashi N, Ishizaki T, Ishii K, Konami H

Synthesis, spectroscopy, and molecular orbital calculations of subazaporphyrins, subphthalocyanines, subnaphthalocyanines, and compounds derived therefrom by ring expansion

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1999 OCT 6; 121 (39): 9096-9110

132

2782

4366 Tretiak S, Zhang WM, Chernyak V, Mukamel S

Excitonic couplings and electronic coherence in bridged naphthalene dimers

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA. 1999 NOV 9; 96 (23): 13003-13008

2783

4367 Ito H

Polarizability tensor theory based upon a Bayley-Nielsen-Schellman-type model Hamiltonian: Circular dichroism calculations of polypeptides

JOURNAL OF CHEMICAL PHYSICS. 1999 NOV 15; 111 (19): 9093-9110

2784

4375 Zivkovic TP, Schmalz TG, Klein DJ

Isoresonant benzenoids

POLYCYCLIC AROMATIC COMPOUNDS. 2000; 18 (1): 13-24

2785

4381 Martin-Delgado MA, Sierra G, Pleutin S, Jeckelmann E

Matrix-product approach to conjugated polymers

PHYSICAL REVIEW B. 2000 JAN 15; 61 (3): 1841-1846

2786

4391 Nalewajski RF

Coupling relations between molecular electronic and geometrical degrees of freedom in density functional theory and charge sensitivity analysis

COMPUTERS & CHEMISTRY. 2000 MAY; 24 (3-4): 243-257

2787

4393 Tyutyulkov N, Dietz F, Mullen K

Magnetic exchange interaction between pi-electron radicals adsorbed on graphites

CHEMICAL PHYSICS. 2000 MAY 1; 255 (2-3): 223-236

2788

4397 Catani L, Gellini C, Moroni L, Salvi PR

Two-photon fluorescence excitation spectrum of 1,6-methano-[10]annulene

JOURNAL OF PHYSICAL CHEMISTRY A. 2000 JUL 20; 104 (28): 6566-6572

2789

4403 Kobayashi N, Fukuda T, Lelievre D

Band deconvolution analysis of the absorption and magnetic circular dichroism spectral data of a planar phthalocyanine dimer

INORGANIC CHEMISTRY. 2000 AUG 7; 39 (16): 3632-3637

2790

4404 Bohm MC, Saal C

Quantum statistical analysis of superconductivity, fractional quantum Hall effect, and aromaticity

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2000 AUG 15; 79 (3): 125-162

121

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2791

4422 Yatsenko AV, Paseshnichenko KA

On the performance of semiempirical MO theory for dipole moments of dye molecules

JOURNAL OF MOLECULAR MODELING. 2001; 7 (10): 384-391

2792

4425 Dietz F, Tyutyulkov N

Photoswitching of the magnetic properties of one-dimensional pi- electron systems - Part II. Conjugated polymers with di-hetarylethene and benzyldene-antrone fragments in the elementary units

PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 2001; 3 (20): 4600-4605

2793

4430 Megelski S, Lieb A, Pauchard M, Drechsler A, Glaus S, et al.

Orientation of fluorescent dyes in the nano channels of zeolite L

JOURNAL OF PHYSICAL CHEMISTRY B. 2001 JAN 11; 105 (1): 25-35

2794

4431 Cui Q, Elstner M, Kaxiras E, Frauenheim T, Karplus M

A QM/MM implementation of the self-consistent charge density functional tight binding (SCC-DFTB) method

JOURNAL OF PHYSICAL CHEMISTRY B. 2001 JAN 18; 105 (2): 569-585

258

2795

4439 Rodgers P, Bassler M

Treating onychomycosis

AMERICAN FAMILY PHYSICIAN. 2001 FEB 15; 63 (4): 663-672

2796

4440 Kobayashi N, Konami H

Molecular orbitals and electronic spectra of benzo-fused and related porphyrin analogues

JOURNAL OF PORPHYRINS AND PHTHALOCYANINES. 2001 MAR; 5 (3): 233-255

2797

4453 Reimers JR, Hush NS

The need for quantum-mechanical treatment of capacitance and related properties of nanoelectrodes

JOURNAL OF PHYSICAL CHEMISTRY B. 2001 SEP 20; 105 (37): 8979-8988

2798

4458 Dolan PM, Miller D, Cogdell RJ, Birge RR, Frank HA

Linear dichroism and the transition dipole moment orientation of the carotenoid in the LH2 antenna complex in membranes of Rhodopseudomonas acidophila strain 10050

JOURNAL OF PHYSICAL CHEMISTRY B. 2001 DEC 6; 105 (48): 12134-12142

2799

4472 Tyutyulkov N, Baumgarten M, Dietz F

Polaronic high-spin pi-conjugated 1-D polymers with polymethine radicals within the elementary units

CHEMICAL PHYSICS LETTERS. 2002 FEB 19; 353 (3-4): 231-238

2800

4473 Schaper K, Mobarekeh SAM, Grewer C

Synthesis and photophysical characterization of a new, highly hydrophilic caging group

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY. 2002 MAR; (6): 1037-1046

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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