HistCite - papers citing Rudy Pariser

Add FileX ?

Use wildcard '*' to add more than one file at a time. For example, if you have file1, file2, etc. all in the same folder or directory; first, locate one of the files with the [Browse...] button. Then alter the file path in the box above to include '*' character (eg. file*). Wildcard '?' to blanket only one character works too.
Note: In Windows you can select multiple files and "drag and drop" them onto HistCite icon or shortcut. The program would start and load those files.

#	Date / Author / Journal	LCS	GCS	LCR	CR
901	2347 MARSCHNE.F, GOETZ H CORRELATION BETWEEN PHOTOELECTRONS AND ELECTRON-SPECTRA .2. STUDY OF AROMATIC PI-SYSTEMS WITH MODIFIED PPP-SCF-CI PARAMETERS TETRAHEDRON. 1974; 30 (17): 3159-3163	3	9	9	30
902	2353 SCHULTE KW, SCHWEIG A CNDO CI CALCULATIONS ON SECOND-ROW MOLECULES .1. PHOSPHORIN AND THIOPHENE THEORETICA CHIMICA ACTA. 1974; 33 (1): 19-28	9	119	9	43
903	2369 HONIG B, WARSHEL A, KARPLUS M THEORETICAL STUDIES OF VISUAL CHROMOPHORE ACCOUNTS OF CHEMICAL RESEARCH. 1975; 8 (3): 92-100	5	87	9	80
904	2374 GREBOW PE, HOOKER TM CONFORMATION OF HISTIDINE MODEL PEPTIDES .2. SPECTROSCOPIC PROPERTIES OF IMIDAZOLE CHROMOPHORE BIOPOLYMERS. 1975; 14 (4): 871-881	1	30	9	33
905	2379 YAMAGUCHI H, IKEDA T, MAMETSUKA H ELECTRONIC-STRUCTURES OF EXCITED-STATES OF BENZOQUINOLINES BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1975; 48 (4): 1118-1122	0	8	9	37
906	2434 ALLINGER NL, SIEFERT JH ORGANIC QUANTUM CHEMISTRY .33. ELECTRONIC-SPECTRA AND ROTATIONAL BARRIERS OF VINYLBORANE, ALLYL CATION, AND RELATED COMPOUNDS JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1975; 97 (4): 752-760	0	67	9	48
907	2483 CAPPARELLI AL, SORARRAIN OM INFLUENCE OF DIFFERENT PARAMETRIZATIONS ON PI-ELECTRONIC SPECTRA FOR RETINAL AND SOME RELATED MOLECULES ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-LEIPZIG. 1975; 256 (3): 497-504	0	0	9	18
908	2486 MARTIN A CALCULATION OF PI-ELECTRONIC STRUCTURE AND SPECTRA OF HALOPYRIDINES BY MIM AND PPP METHODS ACTA CHIMICA ACADEMIAE SCIENTARIUM HUNGARICAE. 1976; 90 (1): 1-19	0	6	9	28
909	2488 MARTIN A, KISS AI MIM AND PPP CALCULATIONS OF PI-ELECTRONIC SPECTRA AND STRUCTURE OF SOME MONOSUBSTITUTED BENZENE-DERIVATIVES ACTA CHIMICA ACADEMIAE SCIENTARIUM HUNGARICAE. 1976; 91 (2): 105-117	1	6	9	31
910	2491 HERNANDO JM, BRILLAS E SOLVATION ENERGY VARIATIONS IN REDOX PROCESS ANALES DE QUIMICA. 1976; 72 (1): 3-7	0	0	9	18
#	Date / Author / Journal	LCS	GCS	LCR	CR
911	2499 YAMAGUCHI H, IKEDA T, MAMETSUKA H EXCITED-STATE DIPOLE-MOMENTS OF AZULENE AND "3,5- DIMETHYLCYCLOPENTA[EF]HEPTALENE BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1976; 49 (7): 1762-1765	2	5	9	23
912	2501 KAITO A, TAJIRI A, HATANO M MAGNETIC CIRCULAR-DICHROISM STUDIES ON ORTHO-NITROANILINES, META- NITROANILINES, AND PARA-NITROANILINES AND ORTHO-NITROANILINES, META- AMINOBENZOIC AND PARA-AMINOBENZOIC ACIDS BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1976; 49 (8): 2207-2213	2	6	9	29
913	2513 MCKELVEY JM, BERTHIER G SYMMETRY DILEMMAS IN AB-INITIO SCF STUDIES OF ALLYL RADICAL AND ETHYLENE CHEMICAL PHYSICS LETTERS. 1976; 41 (3): 476-481	2	43	9	37
914	2540 YIP KL, LIPARI NO, DUKE CB, HUDSON BS, DIAMOND J ELECTRONIC-STRUCTURE OF BOND-ALTERNATING AND NONALTERNANT CONJUGATED HYDROCARBONS - DIPHENYLPOLYENES AND AZULENE JOURNAL OF CHEMICAL PHYSICS. 1976; 64 (10): 4020-4026	5	41	9	46
915	2619 KAITO A, NOZAWA T, YAMAMOTO T, HATANO M, ORII Y LCAO MO SCF PI-ELECTRON CALCULATIONS ON MAGNETIC CIRCULAR-DICHROISM OF PORPHIN, PROTOPORPHYRIN, AND PORPHYRIN-A CHEMICAL PHYSICS LETTERS. 1977; 52 (1): 154-160	3	32	9	28
916	2620 REMKO M, POLCIN J LCAO MO INVESTIGATIONS ON LIGNIN MODEL COMPOUNDS .4. CNDO-CI CALCULATIONS OF ELECTRONIC-SPECTRA OF OXYBENZALDEHYDE TYPE MODELS CHEMICKE ZVESTI. 1977; 31 (2): 171-179	1	10	9	28
917	2650 LERNER DA, HOROWITZ PM, EVLETH EM COMPARATIVE PHOTOPHYSICS OF INDOLIZINE AND RELATED HETEROCYCLICS JOURNAL OF PHYSICAL CHEMISTRY. 1977; 81 (1): 12-17	3	26	9	70
918	2685 MICHL J MAGNETIC CIRCULAR-DICHROISM OF CYCLIC PI-ELECTRON SYSTEMS SPECTROSCOPY LETTERS. 1977; 10 (6): 509-517	4	8	9	30
919	2729 KONING RE, ZANDVOORT H, ZANDSTRA PJ MCD OF TRIPHENYLENE ANION RADICAL - INFLUENCE OF ION-PAIRING AND JAHN- TELLER EFFECT CHEMICAL PHYSICS. 1978; 28 (3): 343-355	0	2	9	52
920	2735 OHNO K SIMPLE CALCULATIONS OF FRANCK-CONDON FACTORS FOR ELECTRONIC-TRANSITION BANDS OF POLYACENES CHEMICAL PHYSICS LETTERS. 1978; 53 (3): 571-577	5	15	9	49
#	Date / Author / Journal	LCS	GCS	LCR	CR
921	2746 GEY E, TINO J QUANTUM-CHEMICAL CALCULATIONS OF SPIN-DENSITY DISTRIBUTION IN PARASUBSTITUTED BENZYL RADICALS BY PPP AND INDO-UHF METHODS WITH AND WITHOUT SPIN PROJECTION CROATICA CHEMICA ACTA. 1978; 51 (1): 11-17	2	5	9	31
922	2754 BAHUGUNA GP, KRISHNA B OMEGA-TYPE CALCULATIONS OF IONIZATION-POTENTIAL ON ALTERNANT, NON- ALTERNANT AND HETERO-ATOM CONTAINING HYDROCARBONS INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY. 1978; 16 (10): 895-897	0	4	9	24
923	2762 TYUTYULKOV NN GENERALIZED FORMULA FOR ENERGIES OF ALTERNANT MOLECULAR-ORBITALS .2. HETERONUCLEAR MOLECULES INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1978; 13 (3): 443-454	2	12	9	27
924	2869 BUEMI G, FASONE S, GRASSO D, GANDOLFO C MOLECULAR-CONFORMATION OF PYRIDINIC AROMATIC ESTERS .2. ELECTRONIC ABSORPTION-SPECTRA AND DIPOLE-MOMENTS BY SEMI-EMPIRICAL METHODS CROATICA CHEMICA ACTA. 1979; 52 (3): 213-221	0	0	9	29
925	3011 ZERNER MC, LOEW GH, KIRCHNER RF, MUELLERWESTERHOFF UT INTERMEDIATE NEGLECT OF DIFFERENTIAL-OVERLAP TECHNIQUE FOR SPECTROSCOPY OF TRANSITION-METAL COMPLEXES - FERROCENE JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1980; 102 (2): 589-599	49	1028	9	84
926	3033 YAMAGUCHI H, TATEISHI M, MURAOKA T MAGNETIC CIRCULAR-DICHROISM SPECTRA OF BENZO[A]PYRENE SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. 1980; 36 (3): 229-231	3	5	9	20
927	3072 MUKHOPADHYAY AK, MUKHERJEE NG SELF-CONSISTENT METHODS IN HUCKEL AND EXTENDED HUCKEL THEORIES .2. APPLICATION TO PI-ELECTION SYSTEMS INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY. 1981; 20 (8): 827-828	0	3	9	20
928	3074 CIZEK J, PAUNCZ R, VRSCAY ER THE USE OF THE CONCEPT OF QUASI-SPIN FOR THE STUDY OF PHYSICAL AND CHEMICAL-PROPERTIES OF ALTERNANT CONJUGATED HYDROCARBONS INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1981; : 61-62	0	0	9	14
929	3075 ABUEITTAH R, HILAL R, HAMED MM MOLECULAR-ORBITAL TREATMENT OF PHENYLFURANS AND BIFURANS INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1981; 19 (3): 383-399	2	10	9	31
930	3083 SEKINO H, KOBAYASHI H A SCREENED POTENTIAL MOLECULAR-ORBITAL CALCULATION OF THE PI-ELECTRON SYSTEM OF PORPHYRIN JOURNAL OF CHEMICAL PHYSICS. 1981; 75 (7): 3477-3484	2	35	9	50
#	Date / Author / Journal	LCS	GCS	LCR	CR
931	3084 AMIRAV A, EVEN U, JORTNER J ENERGETICS AND INTRAMOLECULAR DYNAMICS OF THE ISOLATED ULTRACOLD TETRACENE MOLECULE IN ITS 1ST EXCITED SINGLET-STATE JOURNAL OF CHEMICAL PHYSICS. 1981; 75 (8): 3770-3793	7	109	9	70
932	3087 NAMBOODIRI KPK, VISWANATHAN S, GANESAN R, BHASU VCJ THE ELECTRONIC-STRUCTURE, SPECTRA, AND REACTIVITY OF NITROPHENOLS JOURNAL OF COMPUTATIONAL CHEMISTRY. 1981; 2 (4): 392-401	0	1	9	40
933	3151 GOLDBECK RA, TWAROWSKI AJ, RUSSELL EL, RICE JK, BIRGE RR, et al. EXCITED-STATE ABSORPTION-SPECTROSCOPY AND STATE ORDERING IN POLYENES .2. ALPHA,OMEGA-DIPHENYLPOLYENES JOURNAL OF CHEMICAL PHYSICS. 1982; 77 (7): 3319-3328	2	57	9	45
934	3159 EWEG JK, MULLER F, VANDAM H, TERPSTRA A, OSKAM A ANOMALOUS INTRAMOLECULAR HYDROGEN-BOND IN 10- (HYDROXYALKYL)ISOALLOXAZINES, AS REVEALED BY PHOTO-ELECTRON SPECTROSCOPY, AND THE IMPLICATIONS FOR OPTICAL-SPECTRA JOURNAL OF PHYSICAL CHEMISTRY. 1982; 86 (9): 1642-1651	0	10	9	58
935	3235 SANNIGRAHI AB ON THE USE OF MIXED DIPOLE LENGTH-VELOCITY EXPRESSION FOR OSCILLATOR STRENGTH IN PARISER-PARR-POPLE CALCULATIONS INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY. 1983; 22 (8): 641-645	0	0	9	25
936	3245 SOOS ZG, DUCASSE LR ELECTRONIC CORRELATIONS AND MIDGAP ABSORPTION IN POLYACETYLENE JOURNAL OF CHEMICAL PHYSICS. 1983; 78 (6): 4092-4095	7	36	9	35
937	3254 LEWIS JW, NAUMAN RV, BOULER DB, MCGLYNN SP MOLECULAR RYDBERG STATES - LOW-ENERGY RYDBERG STATES OF AZULENE JOURNAL OF PHYSICAL CHEMISTRY. 1983; 87 (19): 3611-3615	1	9	9	30
938	3284 FABIAN W ON THE INTERPRETATION OF THE INFLUENCE OF SUBSTITUENTS ON THE UV- SPECTROSCOPIC PROPERTIES OF BENZIMIDAZOLE AND INDAZOLE DERIVATIVES ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES. 1983; 38 (12): 1365-1372	2	5	9	53
939	3330 SAID M, MAYNAU D, MALRIEU JP, BACH MAG A NONEMPIRICAL HEISENBERG HAMILTONIAN FOR THE STUDY OF CONJUGATED HYDROCARBONS - GROUND-STATE CONFORMATIONAL STUDIES JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1984; 106 (3): 571-579	11	125	9	82
940	3334 GORMAN AA, HAMBLETT I, HARRISON RJ A PULSE-RADIOLYSIS STUDY OF THE AZULENE TRIPLET-STATE JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1984; 106 (23): 6952-6955	0	32	9	34
#	Date / Author / Journal	LCS	GCS	LCR	CR
941	3363 TAKATA S, ONO Y, UEDA Y EXTENSION OF THE CNDOS/S METHOD TO THE CALCULATION OF AROMATIC AND HETEROCYCLIC-COMPOUNDS CONTAINING SI, P, S AND CL CHEMICAL & PHARMACEUTICAL BULLETIN. 1985; 33 (8): 3077-3091	1	15	9	84
942	3370 SALVI PR VIBRONIC AND INDUCTIVE EFFECTS IN THE 2-PHOTON SPECTRUM OF ANTHRACENE CHEMICAL PHYSICS LETTERS. 1985; 116 (4): 279-285	3	5	9	24
943	3412 FABIAN W ON THE INTERPRETATION OF THE INFLUENCE OF SUBSTITUENTS ON THE UV SPECTRA OF QUINOLINES ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES. 1985; 40 (7): 719-725	2	4	9	38
944	3468 DIRK CW, TWIEG RJ, WAGNIERE G THE CONTRIBUTION OF PI-ELECTRONS TO 2ND HARMONIC-GENERATION IN ORGANIC- MOLECULES JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1986 SEP 3; 108 (18): 5387-5395	16	126	9	70
945	3485 TAVAN P, SCHULTEN K THE LOW-LYING ELECTRONIC EXCITATIONS IN LONG POLYENES - A PPP-MRD-CL STUDY JOURNAL OF CHEMICAL PHYSICS. 1986 DEC 1; 85 (11): 6602-6609	40	227	9	41
946	3512 NAKATSUJI H EXPONENTIALLY GENERATED WAVE-FUNCTIONS AND EXCITED-STATES OF BENZENE THEORETICA CHIMICA ACTA. 1987 APR; 71 (2-3): 201-229	4	20	9	100
947	3528 KITAO O, NAKATSUJI H CLUSTER-EXPANSION OF THE WAVE-FUNCTION - VALENCE AND RYDBERG EXCITATIONS AND IONIZATIONS OF BENZENE JOURNAL OF CHEMICAL PHYSICS. 1987 JUL 15; 87 (2): 1169-1182	7	64	9	105
948	3560 BIGELOW RW, LAW KY, PAN DHK, FREUND HJ CHARGE-TRANSFER SHAKE-UP SATELLITES ACCOMPANYING CORE IONIZATION IN ORGANIC DONOR-ACCEPTOR MOLECULES - BIS(4-DIMETHYLAMINOPHENYL)SQUARAINE AND ITS DERIVATIVES JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA. 1988 JAN; 46 (1): 1-17	0	5	9	61
949	3572 LI DQ, RATNER MA, MARKS TJ MOLECULAR AND MACROMOLECULAR NONLINEAR OPTICAL-MATERIALS - PROBING ARCHITECTURE ELECTRONIC-STRUCTURE FREQUENCY DOUBLING RELATIONSHIPS VIA AN SCF-LCAO MECI -PI ELECTRON FORMALISM JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1988 MAR 16; 110 (6): 1707-1715	25	187	9	76
950	3631 DEWAR MJS, DENNINGTON RD DEWAR-PI STUDY OF ELECTROPHILIC SUBSTITUTION IN SELECTED POLYCYCLIC FLUORANTHENE HYDROCARBONS JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1989 MAY 24; 111 (11): 3804-3808	0	31	9	57
#	Date / Author / Journal	LCS	GCS	LCR	CR
951	3671 LARSSON S, KALLBRING B CHARGE SEPARATION IN 9,9'-DIANTHRYL AND A SPECIAL PAIR TREATED BY A SEMIEMPIRICAL REACTION FIELD METHOD INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1990; : 189-206	0	0	9	92
952	3704 BAKER JD, ZERNER MC CHARGE-DEPENDENT HAMILTONIAN FOR 1ST-ROW AND 2ND-ROW ATOMIC PROPERTIES JOURNAL OF PHYSICAL CHEMISTRY. 1990 APR 5; 94 (7): 2866-2872	3	15	9	33
953	3777 RAMASESHA S, ALBERT IDL, SINHA B OPTICAL AND MAGNETIC-PROPERTIES OF THE EXACT PPP STATES OF BIPHENYL MOLECULAR PHYSICS. 1991 FEB 20; 72 (3): 537-547	8	18	9	41
954	3822 CALLIS PR MOLECULAR-ORBITAL THEORY OF THE 1LB AND 1LA STATES OF INDOLE JOURNAL OF CHEMICAL PHYSICS. 1991 SEP 15; 95 (6): 4230-4240	3	89	9	75
955	3826 DEY J, DOGRA SK ELECTRONIC ABSORPTION AND FLUORESCENCE-SPECTRA OF 2-PHENYL-SUBSTITUTED BENZOTHIAZOLES - STUDY OF EXCITED-STATE PROTON-TRANSFER REACTIONS CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE. 1991 OCT; 69 (10): 1539-1547	1	10	9	72
956	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
957	3859 FORNER W THE PARISER-PARR-POPLE MODEL FOR TRANS-POLYENES .2. PARAMETRIZATION AND GROUND-STATE DYNAMICS CHEMICAL PHYSICS. 1992 MAR 1; 160 (2): 189-209	9	9	9	75
958	3874 LI DQ, MARKS TJ, RATNER MA NONLINEAR OPTICAL PHENOMENA IN CONJUGATED ORGANIC CHROMOPHORES - THEORETICAL INVESTIGATIONS VIA A PI-ELECTRON FORMALISM JOURNAL OF PHYSICAL CHEMISTRY. 1992 MAY 28; 96 (11): 4325-4336	6	63	9	76
959	3946 CHAKRABARTI A, ALBERT IDL, RAMASESHA S, LALITHA S, CHANDRASEKHAR J IS TETRAMETHYLENEETHANE A GROUND-STATE TRIPLET PROCEEDINGS OF THE INDIAN ACADEMY OF SCIENCES-CHEMICAL SCIENCES. 1993 FEB; 105 (1): 53-62	0	5	9	37
960	3948 GALVAO DS, SOOS ZG, RAMASESHA S, ETEMAD S A PARAMETRIC METHOD-3 (PM3) STUDY OF TRANS-STILBENE JOURNAL OF CHEMICAL PHYSICS. 1993 FEB 15; 98 (4): 3016-3021	4	44	9	50
#	Date / Author / Journal	LCS	GCS	LCR	CR
961	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
962	3983 DU P, SALAMA F, LOEW GH THEORETICAL-STUDY OF THE ELECTRONIC-SPECTRA OF A POLYCYCLIC AROMATIC HYDROCARBON, NAPHTHALENE, AND ITS DERIVATIVES CHEMICAL PHYSICS. 1993 JUL 1; 173 (3): 421-437	5	34	9	37
963	3996 NAGAOKA S, ITOH A, MUKAI K, NAGASHIMA U INVESTIGATION OF TRIPLET-STATES OF 2-(2'-HYDROXYPHENYL)BENZOTHIAZOLE AND 2-(2'-HYDROXYPHENYL)BENZOXAZOLE BY TRANSIENT ABSORPTION- SPECTROSCOPY AND AB-INITIO CALCULATIONS JOURNAL OF PHYSICAL CHEMISTRY. 1993 NOV 4; 97 (44): 11385-11392	0	49	9	70
964	4003 KANEV I ELECTRONIC-STRUCTURE AND HYPERPOLARIZABILITY OF SOME CONJUGATED MOLECULES IN EXCITED-STATES INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1993 DEC 5; 48 (5): 333-342	0	4	9	46
965	4004 DEGIAMBIAGI MS, GIAMBIAGI M MO (MOLECULAR-ORBITAL) DEFINITION OF MOLECULAR HARDNESS - SOME APPLICATIONS THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE. 1993 DEC 13; 107 (3): 273-282	0	0	9	64
966	4011 DAVIDOVICAMIC D, AMIC D, TRINAJSTIC N 4-CARBOXYFLAVYLIUM SALTS - STABLE RED DYES CROATICA CHEMICA ACTA. 1994; 67 (1): 163-170	0	5	9	29
967	4021 BAKHSHI AK INVESTIGATION OF ELECTRONIC CONDUCTION IN PROTEINS AND DNA PROGRESS IN BIOPHYSICS & MOLECULAR BIOLOGY. 1994; 61 (3): 187-253	0	17	9	262
968	4022 CORN RM, HIGGINS DA OPTICAL 2ND-HARMONIC GENERATION AS S PROBE OF SURFACE-CHEMISTRY CHEMICAL REVIEWS. 1994 JAN-FEB; 94 (1): 107-125	3	376	9	337
969	4050 GOULD MD, PALDUS J, CIZEK J QUASI-SPIN AND THE PSEUDO-ORTHOGONAL GROUP IN THE HUBBARD-MODEL INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1994 APR 15; 50 (3): 207-231	0	4	9	40
970	4127 NAUJOK RR, HIGGINS DA, HANKEN DG, CORN RM OPTICAL 2ND-HARMONIC GENERATION MEASUREMENTS OF MOLECULAR ADSORPTION AND ORIENTATION AT THE LIQUID-LIQUID ELECTROCHEMICAL INTERFACE JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS. 1995 MAY 21; 91 (10): 1411-1420	0	73	9	55
#	Date / Author / Journal	LCS	GCS	LCR	CR
971	4142 SWIDEREK P, MICHAUD M, SANCHE L ELECTRON-ENERGY-LOSS SPECTROSCOPY OF 6,6'-DIMETHYLFULVENE - FIRST DETECTION OF THE TRIPLET-STATE JOURNAL OF CHEMICAL PHYSICS. 1995 NOV 15; 103 (19): 8424-8432	0	9	9	41
972	4149 Nalewajski RF, Korchowiec J, Michalak A Reactivity criteria in charge sensitivity analysis DENSITY FUNCTIONAL THEORY IV. 1996; 183: 25-141	6	51	9	111
973	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
974	4153 Hameka HF Early theoretical studies of third-order nonlinear electric susceptibilities NONLINEAR OPTICAL MATERIALS. 1996; 628: 102-115	0	0	9	74
975	4293 O'Brien TA, Rack PD, Holloway PH, Zerner MC Crystal field and molecular orbital calculation of the optical transitions in Ce doped alkaline earth sulfide (MgS, CaS, SrS, and BaS) phosphors JOURNAL OF LUMINESCENCE. 1998 JUN; 78 (4): 245-257	0	29	9	48
976	4389 Dietz F, Tyutyulkov N, Madjarova G, Mullen K Is 2-D graphite an ultimate large hydrocarbon? II. Structure and energy spectra of polycyclic aromatic hydrocarbons with defects JOURNAL OF PHYSICAL CHEMISTRY B. 2000 MAR 2; 104 (8): 1746-1761	4	22	9	99
977	4419 Shuai Z, Bredas JL Coupled-cluster approach for studying the electronic and nonlinear optical properties of conjugated molecules PHYSICAL REVIEW B. 2000 DEC 15; 62 (23): 15452-15460	3	37	9	68
978	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
979	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
980	4470 Podeszwa R, Kucharski SA, Stolarczyk LZ Electronic correlation in cyclic polyenes. Performance of coupled- cluster methods with higher excitations JOURNAL OF CHEMICAL PHYSICS. 2002 JAN 8; 116 (2): 480-493	2	7	9	51
#	Date / Author / Journal	LCS	GCS	LCR	CR
981	4480 Enomoto S, Hasegawa M, Yoshinaga T, Hiratsuka H, Kobayashi M, et al. Dispersion interaction between fluoranthene and benzene in cyclohexane BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 2002 APR; 75 (4): 689-693	1	2	9	39
982	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
983	4516 Sandorfy C Remembering the old times of theoretical chemistry CHEMICKE LISTY. 2003; 97 (4): 182-191	0	2	9	147
984	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
985	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
986	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
987	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
988	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
989	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
990	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
#	Date / Author / Journal	LCS	GCS	LCR	CR
991	4649 Hata T, Murakami T, Shibuya H, Ono Y Improved CNDO/S calculation of electronic spectra of organic compounds. I. New CNDO/S calculation by using an improved method of one-center electron repulsion integral CHEMICAL & PHARMACEUTICAL BULLETIN. 2006 MAY; 54 (5): 646-652	0	2	9	31
992	4689 Kakitani Y, Fujii R, Hayakawa Y, Kurahashi M, Koyama Y, et al. Selective binding of carotenoids with a shorter conjugated chain to the LH2 antenna complex and those with a longer conjugated chain to the reaction center from Rubrivivax gelatinosus BIOCHEMISTRY. 2007 JUN 19; 46 (24): 7302-7313	0	3	9	56
993	4697 Montero-Cabrera LA, Rohrig U, Padron-Garcia JA, Crespo-Otero R, Montero-Alejo AL, et al. CNDOL: A fast and reliable method for the calculation of electronic properties of very large systems. Applications to retinal binding pocket in rhodopsin and gas phase porphine JOURNAL OF CHEMICAL PHYSICS. 2007 OCT 14; 127 (14): Art. No. 145102	1	5	9	66
994	4704 Randic M On history of the randic index and emerging hostility toward chemical graph theory MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY. 2008; 59 (1): 5-124	1	29	9	373
995	4723 Matsuura A, Sato H, Sotoyama W, Takahashi A, Sakurai M AM1, PM3, and PM5 calculations of the absorption maxima of basic organic dyes JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 2008 JUL 15; 860 (1-3): 119-127	0	7	9	67
996	4818 Burdett JJ, Muller AM, Gosztol D, Bardeen CJ Excited state dynamics in solid and monomeric tetracene: The roles of superradiance and exciton fission JOURNAL OF CHEMICAL PHYSICS. 2010 OCT 14; 133 (14): Art. No. 144506	0	12	9	88
997	4819 Avci D The consistency analysis of different semiempirical calculations on second- and third-order nonlinear optical properties of donor-acceptor chromophores containing alpha-cyan SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. 2010 OCT 15; 77 (3): 665-672	1	1	9	71
998	4830 Kruse S, Krapf S, Lampe B, Koslowski T Semiempirical configuration interaction calculations in biochemical environments Parametrization and application to gamma D-crystallin, an eye-lense protein BIOPHYSICAL CHEMISTRY. 2011 JAN; 153 (2-3): 173-178	1	1	9	65
999	191 BROWN RD, HEFFERNAN ML THE VARIABLE ELECTRONEGATIVITY METHOD .2. PYRROLE AUSTRALIAN JOURNAL OF CHEMISTRY. 1959; 12 (3): 319-329	62	137	8	22
1000	199 PAYETTE G, SANDORFY C ELECTRONIC DISTRIBUTION IN SOME CONJUGATED KETONES - MOLECULAR ORBITAL CALCULATIONS INCLUDING OVERLAP JOURNAL OF CHEMICAL PHYSICS. 1959; 30 (1): 168-174	3	9	8	31

Date / Author / Journal

LCS

GCS

LCR

901

2347 MARSCHNE.F, GOETZ H

CORRELATION BETWEEN PHOTOELECTRONS AND ELECTRON-SPECTRA .2. STUDY OF AROMATIC PI-SYSTEMS WITH MODIFIED PPP-SCF-CI PARAMETERS

TETRAHEDRON. 1974; 30 (17): 3159-3163

902

2353 SCHULTE KW, SCHWEIG A

CNDO CI CALCULATIONS ON SECOND-ROW MOLECULES .1. PHOSPHORIN AND THIOPHENE

THEORETICA CHIMICA ACTA. 1974; 33 (1): 19-28

119

903

2369 HONIG B, WARSHEL A, KARPLUS M

THEORETICAL STUDIES OF VISUAL CHROMOPHORE

ACCOUNTS OF CHEMICAL RESEARCH. 1975; 8 (3): 92-100

904

2374 GREBOW PE, HOOKER TM

CONFORMATION OF HISTIDINE MODEL PEPTIDES .2. SPECTROSCOPIC PROPERTIES OF IMIDAZOLE CHROMOPHORE

BIOPOLYMERS. 1975; 14 (4): 871-881

905

2379 YAMAGUCHI H, IKEDA T, MAMETSUKA H

ELECTRONIC-STRUCTURES OF EXCITED-STATES OF BENZOQUINOLINES

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1975; 48 (4): 1118-1122

906

2434 ALLINGER NL, SIEFERT JH

ORGANIC QUANTUM CHEMISTRY .33. ELECTRONIC-SPECTRA AND ROTATIONAL BARRIERS OF VINYLBORANE, ALLYL CATION, AND RELATED COMPOUNDS

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1975; 97 (4): 752-760

907

2483 CAPPARELLI AL, SORARRAIN OM

INFLUENCE OF DIFFERENT PARAMETRIZATIONS ON PI-ELECTRONIC SPECTRA FOR RETINAL AND SOME RELATED MOLECULES

ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-LEIPZIG. 1975; 256 (3): 497-504

908

2486 MARTIN A

CALCULATION OF PI-ELECTRONIC STRUCTURE AND SPECTRA OF HALOPYRIDINES BY MIM AND PPP METHODS

ACTA CHIMICA ACADEMIAE SCIENTARIUM HUNGARICAE. 1976; 90 (1): 1-19

909

2488 MARTIN A, KISS AI

MIM AND PPP CALCULATIONS OF PI-ELECTRONIC SPECTRA AND STRUCTURE OF SOME MONOSUBSTITUTED BENZENE-DERIVATIVES

ACTA CHIMICA ACADEMIAE SCIENTARIUM HUNGARICAE. 1976; 91 (2): 105-117

910

2491 HERNANDO JM, BRILLAS E

SOLVATION ENERGY VARIATIONS IN REDOX PROCESS

ANALES DE QUIMICA. 1976; 72 (1): 3-7

Date / Author / Journal

LCS

GCS

LCR

911

2499 YAMAGUCHI H, IKEDA T, MAMETSUKA H

EXCITED-STATE DIPOLE-MOMENTS OF AZULENE AND "3,5- DIMETHYLCYCLOPENTA[EF]HEPTALENE

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1976; 49 (7): 1762-1765

912

2501 KAITO A, TAJIRI A, HATANO M

MAGNETIC CIRCULAR-DICHROISM STUDIES ON ORTHO-NITROANILINES, META- NITROANILINES, AND PARA-NITROANILINES AND ORTHO-NITROANILINES, META- AMINOBENZOIC AND PARA-AMINOBENZOIC ACIDS

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1976; 49 (8): 2207-2213

913

2513 MCKELVEY JM, BERTHIER G

SYMMETRY DILEMMAS IN AB-INITIO SCF STUDIES OF ALLYL RADICAL AND ETHYLENE

CHEMICAL PHYSICS LETTERS. 1976; 41 (3): 476-481

914

2540 YIP KL, LIPARI NO, DUKE CB, HUDSON BS, DIAMOND J

ELECTRONIC-STRUCTURE OF BOND-ALTERNATING AND NONALTERNANT CONJUGATED HYDROCARBONS - DIPHENYLPOLYENES AND AZULENE

JOURNAL OF CHEMICAL PHYSICS. 1976; 64 (10): 4020-4026

915

2619 KAITO A, NOZAWA T, YAMAMOTO T, HATANO M, ORII Y

LCAO MO SCF PI-ELECTRON CALCULATIONS ON MAGNETIC CIRCULAR-DICHROISM OF PORPHIN, PROTOPORPHYRIN, AND PORPHYRIN-A

CHEMICAL PHYSICS LETTERS. 1977; 52 (1): 154-160

916

2620 REMKO M, POLCIN J

LCAO MO INVESTIGATIONS ON LIGNIN MODEL COMPOUNDS .4. CNDO-CI CALCULATIONS OF ELECTRONIC-SPECTRA OF OXYBENZALDEHYDE TYPE MODELS

CHEMICKE ZVESTI. 1977; 31 (2): 171-179

917

2650 LERNER DA, HOROWITZ PM, EVLETH EM

COMPARATIVE PHOTOPHYSICS OF INDOLIZINE AND RELATED HETEROCYCLICS

JOURNAL OF PHYSICAL CHEMISTRY. 1977; 81 (1): 12-17

918

2685 MICHL J

MAGNETIC CIRCULAR-DICHROISM OF CYCLIC PI-ELECTRON SYSTEMS

SPECTROSCOPY LETTERS. 1977; 10 (6): 509-517

919

2729 KONING RE, ZANDVOORT H, ZANDSTRA PJ

MCD OF TRIPHENYLENE ANION RADICAL - INFLUENCE OF ION-PAIRING AND JAHN- TELLER EFFECT

CHEMICAL PHYSICS. 1978; 28 (3): 343-355

920

2735 OHNO K

SIMPLE CALCULATIONS OF FRANCK-CONDON FACTORS FOR ELECTRONIC-TRANSITION BANDS OF POLYACENES

CHEMICAL PHYSICS LETTERS. 1978; 53 (3): 571-577

Date / Author / Journal

LCS

GCS

LCR

921

2746 GEY E, TINO J

QUANTUM-CHEMICAL CALCULATIONS OF SPIN-DENSITY DISTRIBUTION IN PARASUBSTITUTED BENZYL RADICALS BY PPP AND INDO-UHF METHODS WITH AND WITHOUT SPIN PROJECTION

CROATICA CHEMICA ACTA. 1978; 51 (1): 11-17

922

2754 BAHUGUNA GP, KRISHNA B

OMEGA-TYPE CALCULATIONS OF IONIZATION-POTENTIAL ON ALTERNANT, NON- ALTERNANT AND HETERO-ATOM CONTAINING HYDROCARBONS

INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY. 1978; 16 (10): 895-897

923

2762 TYUTYULKOV NN

GENERALIZED FORMULA FOR ENERGIES OF ALTERNANT MOLECULAR-ORBITALS .2. HETERONUCLEAR MOLECULES

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1978; 13 (3): 443-454

924

2869 BUEMI G, FASONE S, GRASSO D, GANDOLFO C

MOLECULAR-CONFORMATION OF PYRIDINIC AROMATIC ESTERS .2. ELECTRONIC ABSORPTION-SPECTRA AND DIPOLE-MOMENTS BY SEMI-EMPIRICAL METHODS

CROATICA CHEMICA ACTA. 1979; 52 (3): 213-221

925

3011 ZERNER MC, LOEW GH, KIRCHNER RF, MUELLERWESTERHOFF UT

INTERMEDIATE NEGLECT OF DIFFERENTIAL-OVERLAP TECHNIQUE FOR SPECTROSCOPY OF TRANSITION-METAL COMPLEXES - FERROCENE

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1980; 102 (2): 589-599

1028

926

3033 YAMAGUCHI H, TATEISHI M, MURAOKA T

MAGNETIC CIRCULAR-DICHROISM SPECTRA OF BENZO[A]PYRENE

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. 1980; 36 (3): 229-231

927

3072 MUKHOPADHYAY AK, MUKHERJEE NG

SELF-CONSISTENT METHODS IN HUCKEL AND EXTENDED HUCKEL THEORIES .2. APPLICATION TO PI-ELECTION SYSTEMS

INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY. 1981; 20 (8): 827-828

928

3074 CIZEK J, PAUNCZ R, VRSCAY ER

THE USE OF THE CONCEPT OF QUASI-SPIN FOR THE STUDY OF PHYSICAL AND CHEMICAL-PROPERTIES OF ALTERNANT CONJUGATED HYDROCARBONS

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1981; : 61-62

929

3075 ABUEITTAH R, HILAL R, HAMED MM

MOLECULAR-ORBITAL TREATMENT OF PHENYLFURANS AND BIFURANS

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1981; 19 (3): 383-399

930

3083 SEKINO H, KOBAYASHI H

A SCREENED POTENTIAL MOLECULAR-ORBITAL CALCULATION OF THE PI-ELECTRON SYSTEM OF PORPHYRIN

JOURNAL OF CHEMICAL PHYSICS. 1981; 75 (7): 3477-3484

Date / Author / Journal

LCS

GCS

LCR

931

3084 AMIRAV A, EVEN U, JORTNER J

ENERGETICS AND INTRAMOLECULAR DYNAMICS OF THE ISOLATED ULTRACOLD TETRACENE MOLECULE IN ITS 1ST EXCITED SINGLET-STATE

JOURNAL OF CHEMICAL PHYSICS. 1981; 75 (8): 3770-3793

109

932

3087 NAMBOODIRI KPK, VISWANATHAN S, GANESAN R, BHASU VCJ

THE ELECTRONIC-STRUCTURE, SPECTRA, AND REACTIVITY OF NITROPHENOLS

JOURNAL OF COMPUTATIONAL CHEMISTRY. 1981; 2 (4): 392-401

933

3151 GOLDBECK RA, TWAROWSKI AJ, RUSSELL EL, RICE JK, BIRGE RR, et al.

EXCITED-STATE ABSORPTION-SPECTROSCOPY AND STATE ORDERING IN POLYENES .2. ALPHA,OMEGA-DIPHENYLPOLYENES

JOURNAL OF CHEMICAL PHYSICS. 1982; 77 (7): 3319-3328

934

3159 EWEG JK, MULLER F, VANDAM H, TERPSTRA A, OSKAM A

ANOMALOUS INTRAMOLECULAR HYDROGEN-BOND IN 10- (HYDROXYALKYL)ISOALLOXAZINES, AS REVEALED BY PHOTO-ELECTRON SPECTROSCOPY, AND THE IMPLICATIONS FOR OPTICAL-SPECTRA

JOURNAL OF PHYSICAL CHEMISTRY. 1982; 86 (9): 1642-1651

935

3235 SANNIGRAHI AB

ON THE USE OF MIXED DIPOLE LENGTH-VELOCITY EXPRESSION FOR OSCILLATOR STRENGTH IN PARISER-PARR-POPLE CALCULATIONS

INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY. 1983; 22 (8): 641-645

936

3245 SOOS ZG, DUCASSE LR

ELECTRONIC CORRELATIONS AND MIDGAP ABSORPTION IN POLYACETYLENE

JOURNAL OF CHEMICAL PHYSICS. 1983; 78 (6): 4092-4095

937

3254 LEWIS JW, NAUMAN RV, BOULER DB, MCGLYNN SP

MOLECULAR RYDBERG STATES - LOW-ENERGY RYDBERG STATES OF AZULENE

JOURNAL OF PHYSICAL CHEMISTRY. 1983; 87 (19): 3611-3615

938

3284 FABIAN W

ON THE INTERPRETATION OF THE INFLUENCE OF SUBSTITUENTS ON THE UV- SPECTROSCOPIC PROPERTIES OF BENZIMIDAZOLE AND INDAZOLE DERIVATIVES

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES. 1983; 38 (12): 1365-1372

939

3330 SAID M, MAYNAU D, MALRIEU JP, BACH MAG

A NONEMPIRICAL HEISENBERG HAMILTONIAN FOR THE STUDY OF CONJUGATED HYDROCARBONS - GROUND-STATE CONFORMATIONAL STUDIES

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1984; 106 (3): 571-579

125

940

3334 GORMAN AA, HAMBLETT I, HARRISON RJ

A PULSE-RADIOLYSIS STUDY OF THE AZULENE TRIPLET-STATE

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1984; 106 (23): 6952-6955

Date / Author / Journal

LCS

GCS

LCR

941

3363 TAKATA S, ONO Y, UEDA Y

EXTENSION OF THE CNDOS/S METHOD TO THE CALCULATION OF AROMATIC AND HETEROCYCLIC-COMPOUNDS CONTAINING SI, P, S AND CL

CHEMICAL & PHARMACEUTICAL BULLETIN. 1985; 33 (8): 3077-3091

942

3370 SALVI PR

VIBRONIC AND INDUCTIVE EFFECTS IN THE 2-PHOTON SPECTRUM OF ANTHRACENE

CHEMICAL PHYSICS LETTERS. 1985; 116 (4): 279-285

943

3412 FABIAN W

ON THE INTERPRETATION OF THE INFLUENCE OF SUBSTITUENTS ON THE UV SPECTRA OF QUINOLINES

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES. 1985; 40 (7): 719-725

944

3468 DIRK CW, TWIEG RJ, WAGNIERE G

THE CONTRIBUTION OF PI-ELECTRONS TO 2ND HARMONIC-GENERATION IN ORGANIC- MOLECULES

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1986 SEP 3; 108 (18): 5387-5395

126

945

3485 TAVAN P, SCHULTEN K

THE LOW-LYING ELECTRONIC EXCITATIONS IN LONG POLYENES - A PPP-MRD-CL STUDY

JOURNAL OF CHEMICAL PHYSICS. 1986 DEC 1; 85 (11): 6602-6609

227

946

3512 NAKATSUJI H

EXPONENTIALLY GENERATED WAVE-FUNCTIONS AND EXCITED-STATES OF BENZENE

THEORETICA CHIMICA ACTA. 1987 APR; 71 (2-3): 201-229

100

947

3528 KITAO O, NAKATSUJI H

CLUSTER-EXPANSION OF THE WAVE-FUNCTION - VALENCE AND RYDBERG EXCITATIONS AND IONIZATIONS OF BENZENE

JOURNAL OF CHEMICAL PHYSICS. 1987 JUL 15; 87 (2): 1169-1182

105

948

3560 BIGELOW RW, LAW KY, PAN DHK, FREUND HJ

CHARGE-TRANSFER SHAKE-UP SATELLITES ACCOMPANYING CORE IONIZATION IN ORGANIC DONOR-ACCEPTOR MOLECULES - BIS(4-DIMETHYLAMINOPHENYL)SQUARAINE AND ITS DERIVATIVES

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA. 1988 JAN; 46 (1): 1-17

949

3572 LI DQ, RATNER MA, MARKS TJ

MOLECULAR AND MACROMOLECULAR NONLINEAR OPTICAL-MATERIALS - PROBING ARCHITECTURE ELECTRONIC-STRUCTURE FREQUENCY DOUBLING RELATIONSHIPS VIA AN SCF-LCAO MECI -PI ELECTRON FORMALISM

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1988 MAR 16; 110 (6): 1707-1715

187

950

3631 DEWAR MJS, DENNINGTON RD

DEWAR-PI STUDY OF ELECTROPHILIC SUBSTITUTION IN SELECTED POLYCYCLIC FLUORANTHENE HYDROCARBONS

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1989 MAY 24; 111 (11): 3804-3808

Date / Author / Journal

LCS

GCS

LCR

951

3671 LARSSON S, KALLBRING B

CHARGE SEPARATION IN 9,9'-DIANTHRYL AND A SPECIAL PAIR TREATED BY A SEMIEMPIRICAL REACTION FIELD METHOD

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1990; : 189-206

952

3704 BAKER JD, ZERNER MC

CHARGE-DEPENDENT HAMILTONIAN FOR 1ST-ROW AND 2ND-ROW ATOMIC PROPERTIES

JOURNAL OF PHYSICAL CHEMISTRY. 1990 APR 5; 94 (7): 2866-2872

953

3777 RAMASESHA S, ALBERT IDL, SINHA B

OPTICAL AND MAGNETIC-PROPERTIES OF THE EXACT PPP STATES OF BIPHENYL

MOLECULAR PHYSICS. 1991 FEB 20; 72 (3): 537-547

954

3822 CALLIS PR

MOLECULAR-ORBITAL THEORY OF THE 1LB AND 1LA STATES OF INDOLE

JOURNAL OF CHEMICAL PHYSICS. 1991 SEP 15; 95 (6): 4230-4240

955

3826 DEY J, DOGRA SK

ELECTRONIC ABSORPTION AND FLUORESCENCE-SPECTRA OF 2-PHENYL-SUBSTITUTED BENZOTHIAZOLES - STUDY OF EXCITED-STATE PROTON-TRANSFER REACTIONS

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE. 1991 OCT; 69 (10): 1539-1547

956

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

957

3859 FORNER W

THE PARISER-PARR-POPLE MODEL FOR TRANS-POLYENES .2. PARAMETRIZATION AND GROUND-STATE DYNAMICS

CHEMICAL PHYSICS. 1992 MAR 1; 160 (2): 189-209

958

3874 LI DQ, MARKS TJ, RATNER MA

NONLINEAR OPTICAL PHENOMENA IN CONJUGATED ORGANIC CHROMOPHORES - THEORETICAL INVESTIGATIONS VIA A PI-ELECTRON FORMALISM

JOURNAL OF PHYSICAL CHEMISTRY. 1992 MAY 28; 96 (11): 4325-4336

959

3946 CHAKRABARTI A, ALBERT IDL, RAMASESHA S, LALITHA S, CHANDRASEKHAR J

IS TETRAMETHYLENEETHANE A GROUND-STATE TRIPLET

PROCEEDINGS OF THE INDIAN ACADEMY OF SCIENCES-CHEMICAL SCIENCES. 1993 FEB; 105 (1): 53-62

960

3948 GALVAO DS, SOOS ZG, RAMASESHA S, ETEMAD S

A PARAMETRIC METHOD-3 (PM3) STUDY OF TRANS-STILBENE

JOURNAL OF CHEMICAL PHYSICS. 1993 FEB 15; 98 (4): 3016-3021

Date / Author / Journal

LCS

GCS

LCR

961

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

962

3983 DU P, SALAMA F, LOEW GH

THEORETICAL-STUDY OF THE ELECTRONIC-SPECTRA OF A POLYCYCLIC AROMATIC HYDROCARBON, NAPHTHALENE, AND ITS DERIVATIVES

CHEMICAL PHYSICS. 1993 JUL 1; 173 (3): 421-437

963

3996 NAGAOKA S, ITOH A, MUKAI K, NAGASHIMA U

INVESTIGATION OF TRIPLET-STATES OF 2-(2'-HYDROXYPHENYL)BENZOTHIAZOLE AND 2-(2'-HYDROXYPHENYL)BENZOXAZOLE BY TRANSIENT ABSORPTION- SPECTROSCOPY AND AB-INITIO CALCULATIONS

JOURNAL OF PHYSICAL CHEMISTRY. 1993 NOV 4; 97 (44): 11385-11392

964

4003 KANEV I

ELECTRONIC-STRUCTURE AND HYPERPOLARIZABILITY OF SOME CONJUGATED MOLECULES IN EXCITED-STATES

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1993 DEC 5; 48 (5): 333-342

965

4004 DEGIAMBIAGI MS, GIAMBIAGI M

MO (MOLECULAR-ORBITAL) DEFINITION OF MOLECULAR HARDNESS - SOME APPLICATIONS

THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE. 1993 DEC 13; 107 (3): 273-282

966

4011 DAVIDOVICAMIC D, AMIC D, TRINAJSTIC N

4-CARBOXYFLAVYLIUM SALTS - STABLE RED DYES

CROATICA CHEMICA ACTA. 1994; 67 (1): 163-170

967

4021 BAKHSHI AK

INVESTIGATION OF ELECTRONIC CONDUCTION IN PROTEINS AND DNA

PROGRESS IN BIOPHYSICS & MOLECULAR BIOLOGY. 1994; 61 (3): 187-253

262

968

4022 CORN RM, HIGGINS DA

OPTICAL 2ND-HARMONIC GENERATION AS S PROBE OF SURFACE-CHEMISTRY

CHEMICAL REVIEWS. 1994 JAN-FEB; 94 (1): 107-125

376

337

969

4050 GOULD MD, PALDUS J, CIZEK J

QUASI-SPIN AND THE PSEUDO-ORTHOGONAL GROUP IN THE HUBBARD-MODEL

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1994 APR 15; 50 (3): 207-231

970

4127 NAUJOK RR, HIGGINS DA, HANKEN DG, CORN RM

OPTICAL 2ND-HARMONIC GENERATION MEASUREMENTS OF MOLECULAR ADSORPTION AND ORIENTATION AT THE LIQUID-LIQUID ELECTROCHEMICAL INTERFACE

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS. 1995 MAY 21; 91 (10): 1411-1420

Date / Author / Journal

LCS

GCS

LCR

971

4142 SWIDEREK P, MICHAUD M, SANCHE L

ELECTRON-ENERGY-LOSS SPECTROSCOPY OF 6,6'-DIMETHYLFULVENE - FIRST DETECTION OF THE TRIPLET-STATE

JOURNAL OF CHEMICAL PHYSICS. 1995 NOV 15; 103 (19): 8424-8432

972

4149 Nalewajski RF, Korchowiec J, Michalak A

Reactivity criteria in charge sensitivity analysis

DENSITY FUNCTIONAL THEORY IV. 1996; 183: 25-141

111

973

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

974

4153 Hameka HF

Early theoretical studies of third-order nonlinear electric susceptibilities

NONLINEAR OPTICAL MATERIALS. 1996; 628: 102-115

975

4293 O'Brien TA, Rack PD, Holloway PH, Zerner MC

Crystal field and molecular orbital calculation of the optical transitions in Ce doped alkaline earth sulfide (MgS, CaS, SrS, and BaS) phosphors

JOURNAL OF LUMINESCENCE. 1998 JUN; 78 (4): 245-257

976

4389 Dietz F, Tyutyulkov N, Madjarova G, Mullen K

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

JOURNAL OF PHYSICAL CHEMISTRY B. 2000 MAR 2; 104 (8): 1746-1761

977

4419 Shuai Z, Bredas JL

Coupled-cluster approach for studying the electronic and nonlinear optical properties of conjugated molecules

PHYSICAL REVIEW B. 2000 DEC 15; 62 (23): 15452-15460

978

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

979

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

980

4470 Podeszwa R, Kucharski SA, Stolarczyk LZ

Electronic correlation in cyclic polyenes. Performance of coupled- cluster methods with higher excitations

JOURNAL OF CHEMICAL PHYSICS. 2002 JAN 8; 116 (2): 480-493

Date / Author / Journal

LCS

GCS

LCR

981

4480 Enomoto S, Hasegawa M, Yoshinaga T, Hiratsuka H, Kobayashi M, et al.

Dispersion interaction between fluoranthene and benzene in cyclohexane

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 2002 APR; 75 (4): 689-693

982

4503 Shapley WA, Reimers JR, Hush NS

INDO/S parameters for gold

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

983

4516 Sandorfy C

Remembering the old times of theoretical chemistry

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

147

984

4542 Yatsenko AV

Molecular crystals: the crystal field effect on molecular electronic structure

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

985

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

986

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

987

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

988

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

989

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

990

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

Date / Author / Journal

LCS

GCS

LCR

991

4649 Hata T, Murakami T, Shibuya H, Ono Y

Improved CNDO/S calculation of electronic spectra of organic compounds. I. New CNDO/S calculation by using an improved method of one-center electron repulsion integral

CHEMICAL & PHARMACEUTICAL BULLETIN. 2006 MAY; 54 (5): 646-652

992

4689 Kakitani Y, Fujii R, Hayakawa Y, Kurahashi M, Koyama Y, et al.

Selective binding of carotenoids with a shorter conjugated chain to the LH2 antenna complex and those with a longer conjugated chain to the reaction center from Rubrivivax gelatinosus

BIOCHEMISTRY. 2007 JUN 19; 46 (24): 7302-7313

993

4697 Montero-Cabrera LA, Rohrig U, Padron-Garcia JA, Crespo-Otero R, Montero-Alejo AL, et al.

CNDOL: A fast and reliable method for the calculation of electronic properties of very large systems. Applications to retinal binding pocket in rhodopsin and gas phase porphine

JOURNAL OF CHEMICAL PHYSICS. 2007 OCT 14; 127 (14): Art. No. 145102

994

4704 Randic M

On history of the randic index and emerging hostility toward chemical graph theory

MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY. 2008; 59 (1): 5-124

373

995

4723 Matsuura A, Sato H, Sotoyama W, Takahashi A, Sakurai M

AM1, PM3, and PM5 calculations of the absorption maxima of basic organic dyes

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 2008 JUL 15; 860 (1-3): 119-127

996

4818 Burdett JJ, Muller AM, Gosztol D, Bardeen CJ

Excited state dynamics in solid and monomeric tetracene: The roles of superradiance and exciton fission

JOURNAL OF CHEMICAL PHYSICS. 2010 OCT 14; 133 (14): Art. No. 144506

997

4819 Avci D

The consistency analysis of different semiempirical calculations on second- and third-order nonlinear optical properties of donor-acceptor chromophores containing alpha-cyan

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. 2010 OCT 15; 77 (3): 665-672

998

4830 Kruse S, Krapf S, Lampe B, Koslowski T

Semiempirical configuration interaction calculations in biochemical environments Parametrization and application to gamma D-crystallin, an eye-lense protein

BIOPHYSICAL CHEMISTRY. 2011 JAN; 153 (2-3): 173-178

999

191 BROWN RD, HEFFERNAN ML

THE VARIABLE ELECTRONEGATIVITY METHOD .2. PYRROLE

AUSTRALIAN JOURNAL OF CHEMISTRY. 1959; 12 (3): 319-329

137

1000

199 PAYETTE G, SANDORFY C

ELECTRONIC DISTRIBUTION IN SOME CONJUGATED KETONES - MOLECULAR ORBITAL CALCULATIONS INCLUDING OVERLAP

JOURNAL OF CHEMICAL PHYSICS. 1959; 30 (1): 168-174

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
List of All Records