HistCite - papers citing Rudy Pariser

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#	Date / Author / Journal	LCS	GCS	LCR	CR
301	2992 NAKASHIMA N, INOUE H, SUMITANI M, YOSHIHARA K LASER FLASH-PHOTOLYSIS OF BENZENE .3. SN]-S1 ABSORPTION OF GASEOUS BENZENE JOURNAL OF CHEMICAL PHYSICS. 1980; 73 (12): 5976-5980	7	45	14	44
302	3047 BAIARDO J, MUKHERJEE R, VALA M TRIPLET-TRIPLET ELECTRONIC ABSORPTION-SPECTROSCOPY USING A FOURIER- TRANSFORM INFRARED SPECTROMETER APPLIED SPECTROSCOPY. 1981; 35 (5): 510-511	2	5	14	23
303	3233 SPANGETLARSEN J, GLEITER R, HAIDER R CONJUGATIVE, EXCITON AND CHARGE-RESONANCE INTERACTIONS IN D2D-9,9'- SPIROBIFLUORENE AND D2D-TETRABENZOTRICYCLO [5.5.0.02,8]DODECA-3,5,9,11- TETRAENE - PHOTOELECTRON AND POLARIZED ABSORPTION-SPECTRA HELVETICA CHIMICA ACTA. 1983; 66 (5): 1441-1455	3	15	14	51
304	3240 SOOS ZG ELECTRONIC-STRUCTURE OF ION-RADICAL ORGANIC-SOLIDS AND POLYENES ISRAEL JOURNAL OF CHEMISTRY. 1983; 23 (1): 37-48	3	10	14	175
305	3516 MEIER AR, WAGNIERE GH THE LONG-WAVELENGTH MCD OF SOME QUINONES AND ITS INTERPRETATION BY SEMIEMPIRICAL MO METHODS CHEMICAL PHYSICS. 1987 APR 15; 113 (2): 287-307	0	19	14	88
306	3591 CIZEK J, VINETTE F THE APPLICATION OF INNER PROJECTION TECHNIQUE TO MANY-ELECTRON SYSTEMS AS COMPARED WITH THE COUPLED CLUSTER-EXPANSION - A STUDY OF THE PARISER-PARR-POPLE MODEL OF THE BENZENE MOLECULE COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS. 1988 SEP; 53 (9): 1910-1918	4	9	14	61
307	3635 NEGRI F, ORLANDI G THEORETICAL-ANALYSIS OF THE FLUORESCENCE AND EXCITATION-SPECTRA OF META-XYLYLENE DIRADICALS JOURNAL OF PHYSICAL CHEMISTRY. 1989 JUN 1; 93 (11): 4470-4477	1	5	14	42
308	3887 SOOS ZG, MCWILLIAMS PCM, HAYDEN GW EXACT NONLINEAR OPTICAL COEFFICIENTS OF QUANTUM CELL MODELS WITH INTERACTING ELECTRONS INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1992 JUL 5; 43 (1): 37-60	0	4	14	97
309	3932 KANIS DR, RATNER MA, MARKS TJ CALCULATION AND ELECTRONIC DESCRIPTION OF QUADRATIC HYPERPOLARIZABILITIES - TOWARD A MOLECULAR UNDERSTANDING OF NLO RESPONSES IN ORGANOTRANSITION METAL CHROMOPHORES JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1992 DEC 16; 114 (26): 10338-10357	10	225	14	119
310	4159 Bearpark MJ, Bernardi F, Clifford S, Olivucci M, Robb MA, et al. The azulene S-1 state decays via a conical intersection: A CASSCF study with MMVB dynamics JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1996 JAN 10; 118 (1): 169-175	5	108	14	104
#	Date / Author / Journal	LCS	GCS	LCR	CR
311	4178 Shuto Y Quadratic hyperpolarizabilities of nitro-substituted pseudo-linear dye molecules with ethylenic and azo bridges INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1996 MAY 15; 58 (4): 407-418	2	6	14	65
312	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
313	4273 Nakayama K, Nakano H, Hirao K Theoretical study of the pi ->pi states of linear polyenes: The energy gap between 1(1)B(u)(+) and 2(1)A(g)(-) states and their character INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1998 JAN 15; 66 (2): 157-175	10	81	14	94
314	4289 Howeler U, Downing JW, Fleischhauer J, Michl J MCD of non-aromatic cyclic pi-electron systems. Part I. The perimeter model for antiaromatic 4N-electron [n]annulene biradicals JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2. 1998 MAY; (5): 1101-1117	0	7	14	32
315	4343 Lowdin PO Connection between semi-empirical and ab initio methods in the quantum theory of molecular electronic spectra INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1999 APR 15; 72 (4): 379-391	0	3	14	149
316	315 RUEDENBERG K QUANTUM MECHANICS OF MOBILE ELECTRONS IN CONJUGATED BOND SYSTEMS .1. GENERAL ANALYSIS IN TIGHT-BINDING FORMULATION JOURNAL OF CHEMICAL PHYSICS. 1961; 34 (6): 1861-&	60	128	13	70
317	429 AMOS AT CALCULATIONS ON THE IONS AND LOWEST PI-TRIPLET STATES OF SOME CONJUGATED HYDROCARBONS MOLECULAR PHYSICS. 1962; 5 (1): 91-104	22	79	13	32
318	487 BECKER RS, SINGH IS, JACKSON EA COMPREHENSIVE SPECTROSCOPIC INVESTIGATION OF POLYNUCLEAR AROMATIC HYDROCARBONS .1. ABSORPTION SPECTRA AND STATE ASSIGNMENTS FOR TETRACYCLIC HYDROCARBONS AND THEIR ALKYL-SUBSTITUTED DERIVATIVES JOURNAL OF CHEMICAL PHYSICS. 1963; 38 (9): 2144-&	24	103	13	52
319	723 SNYDER LC, AMOS T UNRESTRICTED HARTREE-FOCK CALCULATIONS .2. SPIN PROPERTIES OF PI- ELECTRON RADICALS JOURNAL OF CHEMICAL PHYSICS. 1965; 42 (10): 3670-&	35	198	13	45
320	786 NISHIMOT.K, FORSTER LS SCF CALCULATIONS OF AROMATIC HYDROCARBONS VARIABLE BETA APPROXIMATION THEORETICA CHIMICA ACTA. 1965; 3 (5): 407-&	134	261	13	36
#	Date / Author / Journal	LCS	GCS	LCR	CR
321	870 THOMSON C ZERO-FIELD SPLITTINGS IN AROMATIC TRIPLET STATES .I. NAPHTHALENE PYRENE AND 1,12-BENZPERYLENE MOLECULAR PHYSICS. 1966; 10 (4): 309-&	6	17	13	36
322	958 FISCHER H, EGE G QUANTENCHEMISCHE BERECHNUNGEN ALS BEITRAG ZUR KONSTITUTIONSAUFKLARUNG KONDENSIERTER AZULENSYSTEME CHEMISCHE BERICHTE-RECUEIL. 1967; 100 (2): 395-&	1	7	13	25
323	1108 MOBIUS K, PLATO M EPR-UNTERSUCHUNG AN GELOSTEN RADIKALIONEN NICHT-ALTERNIERENDER KOHLENWASSERSTOFFE ZEITSCHRIFT FUR NATURFORSCHUNG PART A-ASTROPHYSIK PHYSIK UND PHYSIKALISCHE CHEMIE. 1967; A 22 (6): 929-&	0	8	13	64
324	1148 FUJITA H, IMAMURA A, NAGATA C ASMO-SCF-CI CALCULATION ON ELECTRONIC STRUCTURES OF BASES OF NUCLEIC ACIDS WITH SPECIAL EMPHASIS ON CONFIGURATION INTERACTION BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1968; 41 (9): 2017-&	1	7	13	29
325	1210 MIYATA T, SUZUKI H, YOMOSA S PI-ELECTRONIC STRUCTURES OF DNA-BASES WITH NORMAL TAUTOMERIC AND IONIZED FORMS JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN. 1968; 25 (5): 1428-&	1	13	13	51
326	1300 JAFFE HH ALL-VALENCE-ELECTRON SEMIEMPIRICAL SELF-CONSISTENT FIELD CALCULATIONS ACCOUNTS OF CHEMICAL RESEARCH. 1969; 2 (5): 136-&	13	63	13	48
327	1312 WETTERMA.G, TEGNER L, MARTENSS.O ELECTRONIC SPECTRA OF STILBENE AND ITS NAPHTHYL ANALOGUES ARKIV FOR KEMI. 1969; 30 (3): 185-&	2	7	13	62
328	1388 GOLD A ZERO FIELD SPLITTING PARAMETER OF TRIMETHYLENEMETHANE JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1969; 91 (18): 4961-&	0	11	13	29
329	1393 MOMICCHI.F, DELRE G CONJUGATION AND ULTRAVIOLET BANDS OF 5-MEMBERED HETEROCYCLES JOURNAL OF THE CHEMICAL SOCIETY B-PHYSICAL ORGANIC. 1969; (6): 674-+	6	30	13	49
330	1402 TINLAND B A CNDO CI STUDY OF ELECTRONIC STRUCTURE OF TRANS-ACROLEIN MOLECULAR PHYSICS. 1969; 16 (4): 413-&	7	18	13	27
#	Date / Author / Journal	LCS	GCS	LCR	CR
331	1422 TINLAND B A CNDO CI STUDY OF ELECTRONIC SPECTRUM OF BIPHENYL SPECTROSCOPY LETTERS. 1969; 2 (1): 25-&	0	1	13	36
332	1438 KARLSSON G, MARTENSS.O CHARGE INFLUENCE IN SEM-EMPIRICAL CALCULATIONS OF HETEROATOMIC IONIC AND NEUTRAL MOLECULES THEORETICA CHIMICA ACTA. 1969; 13 (3): 195-+	16	58	13	74
333	1455 SCHOLZ M, HEIDRICH D SO-CALLED SELF-CONSISTENT METHOD IN HUCKEL MOLECULAR ORBITAL FORMALISM .I. ZEITSCHRIFT FUR CHEMIE. 1969; 9 (2): 41-&	2	6	13	82
334	1497 HIROTA F, NAGAKURA S SEMI-EMPIRICAL SCF MO METHOD FOR SYSTEMS INCLUDING ALL VALENCE ELECTRONS BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1970; 43 (6): 1642-&	3	5	13	37
335	1572 DEWAR MJS, TRINAJST.N GROUND STATES OF CONJUGATED MOLECULES .20. SCF MO TREATMENT OF COMPOUNDS CONTAINING BIVALENT SULFUR JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1970; 92 (6): 1453-&	14	168	13	54
336	1593 SCHUG JC OPTIMUM PARAMETRIZATION IN SCF PI-ELECTRON THEORY MOLECULAR PHYSICS. 1970; 19 (1): 121-&	5	11	13	26
337	1621 CHEESMAN GH, FINNEY AJT, SNOOK IK STUDIES IN HALOGEN-HALOGEN BONDING .1. P-ALPHA MODEL THEORETICA CHIMICA ACTA. 1970; 16 (1): 33-&	1	5	13	63
338	1802 TRINAJST.N MOLECULAR-ORBITAL CALCULATIONS OF AROMATIC STABILIZATION OF POLYCYCLIC CONJUGATED MOLECULES RECORD OF CHEMICAL PROGRESS. 1971; 32 (2): 85-&	5	28	13	99
339	1816 JONG JD, MACLEAN C SEMI-EMPIRICAL CALCULATIONS ON ZFS PARAMETERS OF PHOSPHORESCENT CHARGE- TRANSFER COMPLEXES THEORETICA CHIMICA ACTA. 1971; 21 (1): 98-&	1	1	13	37
340	1879 GONDO Y, KANDA Y CONVENIENT QUADRATIC FORMULAS FOR 2-CENTER COULOMB REPULSION INTEGRALS IN SEMIEMPIRICAL LCAO-MO METHOD AND SIGNIFICANCE OF PARISER-PARR APPROXIMATION BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1972; 45 (6): 1612-&	3	5	13	33
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341	1886 ABSAR I, LIN CS, MCEWEN KL SEMIEMPIRICAL ANALYSIS OF ELECTRONIC-SPECTRUM AND MOLECULAR STRUCTURE OF FORMALDEHYDE CANADIAN JOURNAL OF CHEMISTRY. 1972; 50 (5): 646-&	2	9	13	36
342	1942 BONACIC V, KOUTECKY J SOME CONSEQUENCES OF NONLINEARITY OF HARTREE-FOCK APPROACH, DEMONSTRATED ON EXAMPLE OF PPP MODEL FOR CLOSED SHELL ALTERNANT HYDROCARBONS JOURNAL OF CHEMICAL PHYSICS. 1972; 56 (9): 4563-&	2	16	13	43
343	2073 KASHIWAG.H, IWATA S, NAGAKURA S PI-ELECTRON STRUCTURES OF AROMATIC-HYDROCARBONS IN THEIR LOW-LYING TRIPLET-STATES BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1973; 46 (10): 3289-3290	0	2	13	31
344	2092 HUEBNER RH, FREY WF, COMPTON RN THRESHOLD ELECTRON EXCITATION OF AZULENE CHEMICAL PHYSICS LETTERS. 1973; 23 (4): 587-591	1	9	13	26
345	2129 SIMONS J, SMITH WD THEORY OF ELECTRON AFFINITIES OF SMALL MOLECULES JOURNAL OF CHEMICAL PHYSICS. 1973; 58 (11): 4899-4907	4	209	13	86
346	2132 OTTERSTE.JA PHOTOSTABILITY AND MOLECULAR-STRUCTURE JOURNAL OF CHEMICAL PHYSICS. 1973; 58 (12): 5716-5725	5	136	13	46
347	2139 MOSHER OA, FLICKER WM, KUPPERMA.A ELECTRONIC SPECTROSCOPY OF S-TRANS 1,3-BUTADIENE BY ELECTRON-IMPACT JOURNAL OF CHEMICAL PHYSICS. 1973; 59 (12): 6502-6511	13	121	13	62
348	2141 DEJONG J, MACLEAN C ZERO-FIELD SLITTING OF CYANO-SUBSTITUTED BENZENES IN THEIR LOWEST EXCITED TRIPLET-STATES JOURNAL OF MAGNETIC RESONANCE. 1973; 11 (3): 373-380	0	5	13	51
349	2148 KHAN ZH, ZAIDI ZH, KHANNA BN MOLECULAR-ORBITAL CALCULATIONS OF ELECTRONIC-SPECTRA OF AROMATIC HYDROCARBON MONONEGATIVE IONS JOURNAL OF PHYSICAL CHEMISTRY. 1973; 77 (14): 1814-1816	0	1	13	39
350	2149 GAMBA A, MALATEST.V, MOROSI G, OLIVA C, SIMONETT.M ULTRAVIOLET AND ELECTRON-SPIN RESONANCE SPECTRA OF NITROPYRIDINES AND NITROPYRIDINE N-OXIDES JOURNAL OF PHYSICAL CHEMISTRY. 1973; 77 (23): 2744-2752	4	20	13	41
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351	2233 HARCOURT RD, SILLITOE JF SOME WAVE-FUNCTIONS FOR 4-ELECTRON 3-CENTER BONDING OF 4-PI-ELECTRON AND 8-PI-ELECTRON SYSTEMS AUSTRALIAN JOURNAL OF CHEMISTRY. 1974; 27 (4): 691-711	4	54	13	53
352	2252 BEBELAAR D TIME RESOLVED MOLECULAR SPECTROSCOPY USING HIGH-POWER SOLID-STATE LASERS IN PULSE TRANSMISSION MODE - A RE-EXAMINATION OF SN]-S1 SPECTRA OF NAPHTHALENE AND ANTHRACENE CHEMICAL PHYSICS. 1974; 3 (2): 205-216	13	95	13	36
353	2352 NANDA DN, NARASIMH.PT UNRESTRICTED HARTREE-FOCK SPIN-DENSITY CALCULATIONS WITH ORTHOGONALIZED ATOMIC ORBITALS ON AZA AND NITROAROMATIC RADICAL-ANIONS THEORETICA CHIMICA ACTA. 1974; 32 (4): 321-330	0	4	13	42
354	2370 MARTIN A, KISS AI CALCULATION OF PI-ELECTRONIC STRUCTURE AND SPECTRA OF HETERO- DISUBSTITUTED HALOBENZENES BY MIM AND PPP METHODS ACTA CHIMICA ACADEMIAE SCIENTARIUM HUNGARICAE. 1975; 84 (3): 259-277	1	1	13	36
355	2421 OLSZOWSKI A, RUZIEWICZ Z, CHOJNACKI H HIGHLY RESOLVED STRUCTURE OF ELECTRONIC-SPECTRA OF AZULENE IN FROZEN HYDROCARBON MATRICES JOURNAL OF MOLECULAR STRUCTURE. 1975; 28 (1): 5-24	1	5	13	33
356	2424 CHANG HM, JAFFE HH, MASMANIDIS CA USE OF CNDO METHOD IN SPECTROSCOPY .14. ELECTRONIC-SPECTRA OF FREE- RADICALS AND FREE-RADICAL IONS JOURNAL OF PHYSICAL CHEMISTRY. 1975; 79 (11): 1118-1129	20	123	13	46
357	2500 CHATTERJEE S, DASGUPTA NK PI-ELECTRON STRUCTURE OF SOME NONBENZENOID HYDROCARBONS USING BETA- VARIABLE METHOD BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1976; 49 (7): 1832-1837	0	0	13	32
358	2512 MICHL J USE OF SEMIEMPIRICAL MODELS FOR CALCULATION OF B TERMS IN MCD SPECTRA - AROMATIC-HYDROCARBONS - PREDICTION OF SUBSTITUENT AND HETEROATOM EFFECTS FROM PPP MODEL CHEMICAL PHYSICS LETTERS. 1976; 39 (2): 386-390	21	30	13	39
359	2516 MICHL J USE OF SEMIEMPIRICAL MODELS FOR CALCULATION OF B TERMS IN MCD SPECTRA PPP MODEL FOR [4N + 2] ANNULENES - RULE FOR SUBSTITUENT AND HETEROATOM EFFECTS .6. CHEMICAL PHYSICS LETTERS. 1976; 43 (3): 457-460	13	17	13	28
360	2606 YOSHINAGA T, HIRATSUKA H, TANIZAKI Y ELECTRONIC ABSORPTION-SPECTRA OF PYRENE AND HYDROPYRENES BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1977; 50 (12): 3096-3102	2	22	13	35
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361	2638 THULSTRUP EW RECENT PROGRESS IN STUDIES OF LINEAR AND MAGNETIC CIRCULAR-DICHROISM OF ORGANIC-MOLECULES INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1977; 12: 325-332	3	5	13	43
362	2660 KAITO A, HATANO M, TAJIRI A CNDO TREATMENT FOR FARADAY-B TERMS OF SOME AZAHETEROCYCLES JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1977; 99 (16): 5241-5246	8	24	13	36
363	2693 MISURKIN IA, OVCHINNIKOV AA ELECTRONIC-STRUCTURE AND PROPERTIES OF POLYMERIC MOLECULES WITH CONJUGATED BONDS USPEKHI KHIMII. 1977; 46 (10): 1835-1870	1	45	13	161
364	2699 Niyogi BG, Mukherjee DC, Sannigrahi AB Effect of Semi-Empirical Parameters on the Simple Random-Phase Approximation Calculations of Conjugated Hydrocarbons INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1977 OCT; 12 (4): 639-654	1	3	13	56
365	2789 LAUER G, SCHULTE KW, SCHWEIG A LNDO-S, A SEMI-EMPIRICAL SCF-CI METHOD FOR CALCULATION OF IONIZATION- POTENTIALS AND ELECTRONIC-TRANSITION ENERGIES OF VALENCE-ELECTRONS JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1978; 100 (16): 4925-4935	3	57	13	101
366	2794 BAUMANN H IMPORTANCE OF ELECTRON CORRELATION IN COMPUTING MOLECULAR ENERGIES AND STRUCTURES OF ANNULENES JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1978; 100 (23): 7196-7201	2	74	13	44
367	2796 DASGUPTA A, CHATTERJEE S, DASGUPTA NK THEORETICAL STUDIES OF SOME NON-BENZENOID HYDROCARBONS .6. BENZODERIVATIVES OF ACEHEPTYLENE, AZUPYRENE AND DICYCLOHEPTA [CD,GH) PENTALENE JOURNAL OF THE INDIAN CHEMICAL SOCIETY. 1978; 55 (9): 935-942	1	2	13	37
368	2904 VOLKOV VB, ZHOGOLEV DA PARAMETERS FOR SEMI-EMPIRICAL MOLECULAR CALCULATIONS WITH COMPLETE NEGLECT OF DIFFERENTIAL-OVERLAP JOURNAL OF STRUCTURAL CHEMISTRY. 1979; 20 (4): 584-602	0	2	13	62
369	2947 KAITO A, HATANO M CNDO AND INDO CALCULATIONS OF THE MAGNETIC CIRCULAR-DICHROISM OF SEVERAL PURINE DERIVATIVES BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1980; 53 (11): 3064-3068	4	17	13	41
370	2948 KAITO A, HATANO M STUDIES OF THE MAGNETIC CIRCULAR-DICHROISM AND TAUTOMERISM OF PYRIDINOLS (PYRIDINONES) AND PYRIMIDINOLS (PYRIMIDINONES) BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1980; 53 (11): 3069-3072	1	12	13	45
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371	3048 LANGE A, TAVAN P, SCHRODER D, BAUMGARTEL H THE ELECTRONIC-SPECTRA OF AMINOPHENAZINES BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 1981; 85 (1): 78-85	0	7	13	38
372	3067 DICK B, HOHLNEICHER G 2-PHOTON SPECTROSCOPY OF THE LOW-LYING SINGLET-STATES OF NAPHTHALENE AND ACENAPHTHENE CHEMICAL PHYSICS LETTERS. 1981; 84 (3): 471-478	37	60	13	27
373	3071 YAMAGUCHI H, ATA M, TOYODA K, MAMETSUKA H, TAKESHITA H, et al. MAGNETIC CIRCULAR-DICHROISM AND ABSORPTION-SPECTRA OF 2-METHYL-1,3- DIAZAAZULENE HELVETICA CHIMICA ACTA. 1981; 64 (7): 2356-2360	0	0	13	29
374	3098 BARALDI I ON THE PI-PI SPECTRA OF 1-PHENYLBUTADIENE AND 1-PHENYLHEXATRIENE - A THEORETICAL-STUDY INCLUDING ELECTRON CORRELATION JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II. 1981; 77: 1715-1719	0	2	13	44
375	3149 SCHLOSSER DW, PHILPOTT MR ENERGY-TRANSFER IN MOLECULAR-CRYSTALS - NON-DIPOLAR COULOMB EXCITON TRANSFER INTERACTIONS IN CRYSTALLINE NAPHTHALENE AND ANTHRACENE JOURNAL OF CHEMICAL PHYSICS. 1982; 77 (4): 1969-1983	0	19	13	64
376	3177 VOGLER H [2.2]PARACYCLOPHANE - THEORETICAL-STUDY OF ITS LOWER EXCITED-STATES AND OF THE ZERO-FIELD SPLITTING PARAMETERS D MOLECULAR PHYSICS. 1982; 47 (5): 1179-1193	0	6	13	61
377	3188 FABIAN W THEORETICAL-STUDIES ON THE ABSORPTION AND LUMINESCENCE BEHAVIOR OF SUBSTITUTED AROMATIC-COMPOUNDS THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE. 1982; 7 (3-4): 249-264	0	1	13	63
378	3390 GOLDBECK RA, SWITKES E LOCALIZED EXCITATION ANALYSIS OF THE SINGLET EXCITED-STATES OF POLYENES AND DIPHENYLPOLYENES JOURNAL OF PHYSICAL CHEMISTRY. 1985; 89 (12): 2585-2591	1	6	13	45
379	3502 PAL SK, DASGUPTA NK, DASGUPTA A THEORETICAL-STUDY OF NONBENZENOID HYDROCARBONS - BICYCLO[6.2.0]DECAPENTAENE AND RELATED-COMPOUNDS INDIAN JOURNAL OF CHEMISTRY SECTION B-ORGANIC CHEMISTRY INCLUDING MEDICINAL CHEMISTRY. 1987 MAR; 26 (3): 243-247	1	2	13	34
380	3510 HIRANO K EFFECT OF THE ELECTRON CORRELATIONAL SCREENING UPON THE CALCULATED TRANSITION ENERGIES OF AROMATIC-HYDROCARBONS BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1987 APR; 60 (4): 1231-1236	0	1	13	43
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381	3541 TAVAN P, SCHULTEN K ELECTRONIC EXCITATIONS IN FINITE AND INFINITE POLYENES PHYSICAL REVIEW B. 1987 SEP 15; 36 (8): 4337-4358	42	307	13	69
382	3569 AMIRAV A, HORWITZ C, JORTNER J OPTICAL SELECTION STUDIES OF ELECTRONIC RELAXATION FROM THE S-1 STATE OF JET-COOLED ANTHRACENE-DERIVATIVES JOURNAL OF CHEMICAL PHYSICS. 1988 MAR 1; 88 (5): 3092-3110	6	106	13	83
383	3726 NEGRI F, ORLANDI G, ZERBETTO F, ZGIERSKI MZ QUANTUM CHEMICAL AND VIBRONIC ANALYSIS OF THE 1 2B2REVERSIBLE12A2, 2(2B2) TRANSITION IN BENZYL-H7 AND BENZYL-D7 RADICALS JOURNAL OF CHEMICAL PHYSICS. 1990 JUL 1; 93 (1): 600-608	0	33	13	37
384	3740 ERIKSSON S, KALLEBRING B, LARSSON S, MARTENSSON J, WENNERSTROM O EXCITON SPLITTING IN THE SPECTRA OF COVALENTLY LINKED PORPHYRINS CHEMICAL PHYSICS. 1990 SEP 15; 146 (1-2): 165-177	3	38	13	78
385	3888 KANIS DR, MARKS TJ, RATNER MA CALCULATION OF QUADRATIC HYPERPOLARIZABILITIES FOR ORGANIC PI-ELECTRON CHROMOPHORES - MOLECULAR-GEOMETRY SENSITIVITY OF 2ND-ORDER NONLINEAR OPTICAL-RESPONSE INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1992 JUL 5; 43 (1): 61-82	6	87	13	47
386	3967 NAGAE H, KAKITANI T, KATOH T, MIMURO M CALCULATION OF THE EXCITATION TRANSFER-MATRIX ELEMENTS BETWEEN THE S(2) OR S(1) STATE OF CAROTENOID AND THE S(2) OR S(1) STATE OF BACTERIOCHLOROPHYLL JOURNAL OF CHEMICAL PHYSICS. 1993 MAY 15; 98 (10): 8012-8023	7	85	13	56
387	3973 FORNER W EFFECTS OF DISORDER ON SOLITON DYNAMICS .2. SOLITONS IN TRANSPOLYACETYLENE WITHIN THE PARISER-PARR-POPLE MODEL(ALPHA) THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE. 1993 JUN; 101 (3): 235-246	0	0	13	68
388	4141 ZILBERG S, HAAS Y, SHAIK S ELECTRONIC-SPECTRUM OF ANTHRACENE - AN AB-INITIO MOLECULAR-ORBITAL CALCULATION COMBINED WITH A VALENCE-BOND INTERPRETATION JOURNAL OF PHYSICAL CHEMISTRY. 1995 NOV 9; 99 (45): 16558-16565	6	36	13	48
389	4247 Ma J, Li SH, Jiang YS Can the low-lying electronic states of benzenoid hydrocarbons be described by the semiempirical valence bond approach? JOURNAL OF PHYSICAL CHEMISTRY A. 1997 JUN 26; 101 (26): 4770-4775	0	6	13	65
390	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
#	Date / Author / Journal	LCS	GCS	LCR	CR
391	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
392	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
393	4687 Niedzwiedzki D, Koscielecki JF, Cong H, Sullivan JO, Gibson GN, et al. Ultrafast dynamics and excited state spectra of open-chain carotenoids at room and low temperatures JOURNAL OF PHYSICAL CHEMISTRY B. 2007 MAY 31; 111 (21): 5984-5998	4	48	13	83
394	4705 Mikhailov IA, Tafur S, Masunov AE Double excitations and state-to-state transition dipoles in pi-pi* excited singlet states of linear polyenes: Time-dependent density- functional theory versus multiconfigurational methods PHYSICAL REVIEW A. 2008 JAN; 77 (1): Art. No. 012510	2	20	13	89
395	4727 Cong H, Niedzwiedzki DM, Gibson GN, LaFountain AM, Kelsh RM, et al. Ultrafast time-resolved carotenoid to-bacteriochlorophyll energy transfer in LH2 complexes from photosynthetic bacteria JOURNAL OF PHYSICAL CHEMISTRY B. 2008 AUG 28; 112 (34): 10689-10703	0	20	13	84
396	4739 Hawke LGD, Kalosakas G, Simserides C Empirical LCAO parameters for molecular orbitals in planar organic molecules MOLECULAR PHYSICS. 2009; 107 (17): 1755-1771	0	1	13	181
397	227 MORITA T SELF-CONSISTENT FIELD MOLECULAR ORBITAL TREATMENT OF BENZENIUM ION FOR A SIMPLIFIED MODEL OF HYPERCONJUGATION BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1960; 33 (11): 1486-1492	21	31	12	43
398	241 MCEWEN KL ELECTRONIC STRUCTURES AND SPECTRA OF NITROMETHANE AND NITROGEN DIOXIDE JOURNAL OF CHEMICAL PHYSICS. 1960; 32 (6): 1801-1814	13	69	12	53
399	388 HOYLAND JR, GOODMAN L CHARGE DISTRIBUTIONS IN POSITIVE IONS AND IONIZATION ENERGIES OF CONJUGATED HYDROCARBONS JOURNAL OF CHEMICAL PHYSICS. 1962; 36 (1): 12-&	57	113	12	28
400	396 KOUTECKY J, PALDUS J, ZAHRADNIK R CALCULATION OF P-BAND POSITIONS OF AROMATIC POLYCYCLIC HYDROCARBONS BY LIMITED CONFIGURATION INTERACTION METHOD JOURNAL OF CHEMICAL PHYSICS. 1962; 36 (12): 3129-&	28	83	12	35

Date / Author / Journal

LCS

GCS

LCR

301

2992 NAKASHIMA N, INOUE H, SUMITANI M, YOSHIHARA K

LASER FLASH-PHOTOLYSIS OF BENZENE .3. SN]-S1 ABSORPTION OF GASEOUS BENZENE

JOURNAL OF CHEMICAL PHYSICS. 1980; 73 (12): 5976-5980

302

3047 BAIARDO J, MUKHERJEE R, VALA M

TRIPLET-TRIPLET ELECTRONIC ABSORPTION-SPECTROSCOPY USING A FOURIER- TRANSFORM INFRARED SPECTROMETER

APPLIED SPECTROSCOPY. 1981; 35 (5): 510-511

303

3233 SPANGETLARSEN J, GLEITER R, HAIDER R

CONJUGATIVE, EXCITON AND CHARGE-RESONANCE INTERACTIONS IN D2D-9,9'- SPIROBIFLUORENE AND D2D-TETRABENZOTRICYCLO [5.5.0.02,8]DODECA-3,5,9,11- TETRAENE - PHOTOELECTRON AND POLARIZED ABSORPTION-SPECTRA

HELVETICA CHIMICA ACTA. 1983; 66 (5): 1441-1455

304

3240 SOOS ZG

ELECTRONIC-STRUCTURE OF ION-RADICAL ORGANIC-SOLIDS AND POLYENES

ISRAEL JOURNAL OF CHEMISTRY. 1983; 23 (1): 37-48

175

305

3516 MEIER AR, WAGNIERE GH

THE LONG-WAVELENGTH MCD OF SOME QUINONES AND ITS INTERPRETATION BY SEMIEMPIRICAL MO METHODS

CHEMICAL PHYSICS. 1987 APR 15; 113 (2): 287-307

306

3591 CIZEK J, VINETTE F

THE APPLICATION OF INNER PROJECTION TECHNIQUE TO MANY-ELECTRON SYSTEMS AS COMPARED WITH THE COUPLED CLUSTER-EXPANSION - A STUDY OF THE PARISER-PARR-POPLE MODEL OF THE BENZENE MOLECULE

COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS. 1988 SEP; 53 (9): 1910-1918

307

3635 NEGRI F, ORLANDI G

THEORETICAL-ANALYSIS OF THE FLUORESCENCE AND EXCITATION-SPECTRA OF META-XYLYLENE DIRADICALS

JOURNAL OF PHYSICAL CHEMISTRY. 1989 JUN 1; 93 (11): 4470-4477

308

3887 SOOS ZG, MCWILLIAMS PCM, HAYDEN GW

EXACT NONLINEAR OPTICAL COEFFICIENTS OF QUANTUM CELL MODELS WITH INTERACTING ELECTRONS

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1992 JUL 5; 43 (1): 37-60

309

3932 KANIS DR, RATNER MA, MARKS TJ

CALCULATION AND ELECTRONIC DESCRIPTION OF QUADRATIC HYPERPOLARIZABILITIES - TOWARD A MOLECULAR UNDERSTANDING OF NLO RESPONSES IN ORGANOTRANSITION METAL CHROMOPHORES

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1992 DEC 16; 114 (26): 10338-10357

225

119

310

4159 Bearpark MJ, Bernardi F, Clifford S, Olivucci M, Robb MA, et al.

The azulene S-1 state decays via a conical intersection: A CASSCF study with MMVB dynamics

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1996 JAN 10; 118 (1): 169-175

108

104

Date / Author / Journal

311

Quadratic hyperpolarizabilities of nitro-substituted pseudo-linear dye molecules with ethylenic and azo bridges

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1996 MAY 15; 58 (4): 407-418

312

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

313

4273 Nakayama K, Nakano H, Hirao K

Theoretical study of the pi ->pi states of linear polyenes: The energy gap between 1(1)B(u)(+) and 2(1)A(g)(-) states and their character

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1998 JAN 15; 66 (2): 157-175

314

4289 Howeler U, Downing JW, Fleischhauer J, Michl J

MCD of non-aromatic cyclic pi-electron systems. Part I. The perimeter model for antiaromatic 4N-electron [n]annulene biradicals

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2. 1998 MAY; (5): 1101-1117

315

4343 Lowdin PO

Connection between semi-empirical and ab initio methods in the quantum theory of molecular electronic spectra

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1999 APR 15; 72 (4): 379-391

149

316

315 RUEDENBERG K

QUANTUM MECHANICS OF MOBILE ELECTRONS IN CONJUGATED BOND SYSTEMS .1. GENERAL ANALYSIS IN TIGHT-BINDING FORMULATION

JOURNAL OF CHEMICAL PHYSICS. 1961; 34 (6): 1861-&

128

317

429 AMOS AT

CALCULATIONS ON THE IONS AND LOWEST PI-TRIPLET STATES OF SOME CONJUGATED HYDROCARBONS

MOLECULAR PHYSICS. 1962; 5 (1): 91-104

318

487 BECKER RS, SINGH IS, JACKSON EA

COMPREHENSIVE SPECTROSCOPIC INVESTIGATION OF POLYNUCLEAR AROMATIC HYDROCARBONS .1. ABSORPTION SPECTRA AND STATE ASSIGNMENTS FOR TETRACYCLIC HYDROCARBONS AND THEIR ALKYL-SUBSTITUTED DERIVATIVES

JOURNAL OF CHEMICAL PHYSICS. 1963; 38 (9): 2144-&

103

319

723 SNYDER LC, AMOS T

UNRESTRICTED HARTREE-FOCK CALCULATIONS .2. SPIN PROPERTIES OF PI- ELECTRON RADICALS

JOURNAL OF CHEMICAL PHYSICS. 1965; 42 (10): 3670-&

198

320

786 NISHIMOT.K, FORSTER LS

SCF CALCULATIONS OF AROMATIC HYDROCARBONS VARIABLE BETA APPROXIMATION

THEORETICA CHIMICA ACTA. 1965; 3 (5): 407-&

134

261

Date / Author / Journal

321

ZERO-FIELD SPLITTINGS IN AROMATIC TRIPLET STATES .I. NAPHTHALENE PYRENE AND 1,12-BENZPERYLENE

MOLECULAR PHYSICS. 1966; 10 (4): 309-&

322

958 FISCHER H, EGE G

QUANTENCHEMISCHE BERECHNUNGEN ALS BEITRAG ZUR KONSTITUTIONSAUFKLARUNG KONDENSIERTER AZULENSYSTEME

CHEMISCHE BERICHTE-RECUEIL. 1967; 100 (2): 395-&

323

1108 MOBIUS K, PLATO M

EPR-UNTERSUCHUNG AN GELOSTEN RADIKALIONEN NICHT-ALTERNIERENDER KOHLENWASSERSTOFFE

ZEITSCHRIFT FUR NATURFORSCHUNG PART A-ASTROPHYSIK PHYSIK UND PHYSIKALISCHE CHEMIE. 1967; A 22 (6): 929-&

324

1148 FUJITA H, IMAMURA A, NAGATA C

ASMO-SCF-CI CALCULATION ON ELECTRONIC STRUCTURES OF BASES OF NUCLEIC ACIDS WITH SPECIAL EMPHASIS ON CONFIGURATION INTERACTION

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1968; 41 (9): 2017-&

325

1210 MIYATA T, SUZUKI H, YOMOSA S

PI-ELECTRONIC STRUCTURES OF DNA-BASES WITH NORMAL TAUTOMERIC AND IONIZED FORMS

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN. 1968; 25 (5): 1428-&

326

1300 JAFFE HH

ALL-VALENCE-ELECTRON SEMIEMPIRICAL SELF-CONSISTENT FIELD CALCULATIONS

ACCOUNTS OF CHEMICAL RESEARCH. 1969; 2 (5): 136-&

327

1312 WETTERMA.G, TEGNER L, MARTENSS.O

ELECTRONIC SPECTRA OF STILBENE AND ITS NAPHTHYL ANALOGUES

ARKIV FOR KEMI. 1969; 30 (3): 185-&

328

1388 GOLD A

ZERO FIELD SPLITTING PARAMETER OF TRIMETHYLENEMETHANE

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1969; 91 (18): 4961-&

329

1393 MOMICCHI.F, DELRE G

CONJUGATION AND ULTRAVIOLET BANDS OF 5-MEMBERED HETEROCYCLES

JOURNAL OF THE CHEMICAL SOCIETY B-PHYSICAL ORGANIC. 1969; (6): 674-+

330

1402 TINLAND B

A CNDO CI STUDY OF ELECTRONIC STRUCTURE OF TRANS-ACROLEIN

MOLECULAR PHYSICS. 1969; 16 (4): 413-&

Date / Author / Journal

331

A CNDO CI STUDY OF ELECTRONIC SPECTRUM OF BIPHENYL

SPECTROSCOPY LETTERS. 1969; 2 (1): 25-&

332

1438 KARLSSON G, MARTENSS.O

CHARGE INFLUENCE IN SEM-EMPIRICAL CALCULATIONS OF HETEROATOMIC IONIC AND NEUTRAL MOLECULES

THEORETICA CHIMICA ACTA. 1969; 13 (3): 195-+

333

1455 SCHOLZ M, HEIDRICH D

SO-CALLED SELF-CONSISTENT METHOD IN HUCKEL MOLECULAR ORBITAL FORMALISM .I.

ZEITSCHRIFT FUR CHEMIE. 1969; 9 (2): 41-&

334

1497 HIROTA F, NAGAKURA S

SEMI-EMPIRICAL SCF MO METHOD FOR SYSTEMS INCLUDING ALL VALENCE ELECTRONS

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1970; 43 (6): 1642-&

335

1572 DEWAR MJS, TRINAJST.N

GROUND STATES OF CONJUGATED MOLECULES .20. SCF MO TREATMENT OF COMPOUNDS CONTAINING BIVALENT SULFUR

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1970; 92 (6): 1453-&

168

336

1593 SCHUG JC

OPTIMUM PARAMETRIZATION IN SCF PI-ELECTRON THEORY

MOLECULAR PHYSICS. 1970; 19 (1): 121-&

337

1621 CHEESMAN GH, FINNEY AJT, SNOOK IK

STUDIES IN HALOGEN-HALOGEN BONDING .1. P-ALPHA MODEL

THEORETICA CHIMICA ACTA. 1970; 16 (1): 33-&

338

1802 TRINAJST.N

MOLECULAR-ORBITAL CALCULATIONS OF AROMATIC STABILIZATION OF POLYCYCLIC CONJUGATED MOLECULES

RECORD OF CHEMICAL PROGRESS. 1971; 32 (2): 85-&

339

1816 JONG JD, MACLEAN C

SEMI-EMPIRICAL CALCULATIONS ON ZFS PARAMETERS OF PHOSPHORESCENT CHARGE- TRANSFER COMPLEXES

THEORETICA CHIMICA ACTA. 1971; 21 (1): 98-&

340

1879 GONDO Y, KANDA Y

CONVENIENT QUADRATIC FORMULAS FOR 2-CENTER COULOMB REPULSION INTEGRALS IN SEMIEMPIRICAL LCAO-MO METHOD AND SIGNIFICANCE OF PARISER-PARR APPROXIMATION

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1972; 45 (6): 1612-&

Date / Author / Journal

LCS

GCS

LCR

341

1886 ABSAR I, LIN CS, MCEWEN KL

SEMIEMPIRICAL ANALYSIS OF ELECTRONIC-SPECTRUM AND MOLECULAR STRUCTURE OF FORMALDEHYDE

CANADIAN JOURNAL OF CHEMISTRY. 1972; 50 (5): 646-&

342

1942 BONACIC V, KOUTECKY J

SOME CONSEQUENCES OF NONLINEARITY OF HARTREE-FOCK APPROACH, DEMONSTRATED ON EXAMPLE OF PPP MODEL FOR CLOSED SHELL ALTERNANT HYDROCARBONS

JOURNAL OF CHEMICAL PHYSICS. 1972; 56 (9): 4563-&

343

2073 KASHIWAG.H, IWATA S, NAGAKURA S

PI-ELECTRON STRUCTURES OF AROMATIC-HYDROCARBONS IN THEIR LOW-LYING TRIPLET-STATES

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1973; 46 (10): 3289-3290

344

2092 HUEBNER RH, FREY WF, COMPTON RN

THRESHOLD ELECTRON EXCITATION OF AZULENE

CHEMICAL PHYSICS LETTERS. 1973; 23 (4): 587-591

345

2129 SIMONS J, SMITH WD

THEORY OF ELECTRON AFFINITIES OF SMALL MOLECULES

JOURNAL OF CHEMICAL PHYSICS. 1973; 58 (11): 4899-4907

209

346

2132 OTTERSTE.JA

PHOTOSTABILITY AND MOLECULAR-STRUCTURE

JOURNAL OF CHEMICAL PHYSICS. 1973; 58 (12): 5716-5725

136

347

2139 MOSHER OA, FLICKER WM, KUPPERMA.A

ELECTRONIC SPECTROSCOPY OF S-TRANS 1,3-BUTADIENE BY ELECTRON-IMPACT

JOURNAL OF CHEMICAL PHYSICS. 1973; 59 (12): 6502-6511

121

348

2141 DEJONG J, MACLEAN C

ZERO-FIELD SLITTING OF CYANO-SUBSTITUTED BENZENES IN THEIR LOWEST EXCITED TRIPLET-STATES

JOURNAL OF MAGNETIC RESONANCE. 1973; 11 (3): 373-380

349

2148 KHAN ZH, ZAIDI ZH, KHANNA BN

MOLECULAR-ORBITAL CALCULATIONS OF ELECTRONIC-SPECTRA OF AROMATIC HYDROCARBON MONONEGATIVE IONS

JOURNAL OF PHYSICAL CHEMISTRY. 1973; 77 (14): 1814-1816

350

2149 GAMBA A, MALATEST.V, MOROSI G, OLIVA C, SIMONETT.M

ULTRAVIOLET AND ELECTRON-SPIN RESONANCE SPECTRA OF NITROPYRIDINES AND NITROPYRIDINE N-OXIDES

JOURNAL OF PHYSICAL CHEMISTRY. 1973; 77 (23): 2744-2752

Date / Author / Journal

LCS

GCS

LCR

351

2233 HARCOURT RD, SILLITOE JF

SOME WAVE-FUNCTIONS FOR 4-ELECTRON 3-CENTER BONDING OF 4-PI-ELECTRON AND 8-PI-ELECTRON SYSTEMS

AUSTRALIAN JOURNAL OF CHEMISTRY. 1974; 27 (4): 691-711

352

2252 BEBELAAR D

TIME RESOLVED MOLECULAR SPECTROSCOPY USING HIGH-POWER SOLID-STATE LASERS IN PULSE TRANSMISSION MODE - A RE-EXAMINATION OF SN]-S1 SPECTRA OF NAPHTHALENE AND ANTHRACENE

CHEMICAL PHYSICS. 1974; 3 (2): 205-216

353

2352 NANDA DN, NARASIMH.PT

UNRESTRICTED HARTREE-FOCK SPIN-DENSITY CALCULATIONS WITH ORTHOGONALIZED ATOMIC ORBITALS ON AZA AND NITROAROMATIC RADICAL-ANIONS

THEORETICA CHIMICA ACTA. 1974; 32 (4): 321-330

354

2370 MARTIN A, KISS AI

CALCULATION OF PI-ELECTRONIC STRUCTURE AND SPECTRA OF HETERO- DISUBSTITUTED HALOBENZENES BY MIM AND PPP METHODS

ACTA CHIMICA ACADEMIAE SCIENTARIUM HUNGARICAE. 1975; 84 (3): 259-277

355

2421 OLSZOWSKI A, RUZIEWICZ Z, CHOJNACKI H

HIGHLY RESOLVED STRUCTURE OF ELECTRONIC-SPECTRA OF AZULENE IN FROZEN HYDROCARBON MATRICES

JOURNAL OF MOLECULAR STRUCTURE. 1975; 28 (1): 5-24

356

2424 CHANG HM, JAFFE HH, MASMANIDIS CA

USE OF CNDO METHOD IN SPECTROSCOPY .14. ELECTRONIC-SPECTRA OF FREE- RADICALS AND FREE-RADICAL IONS

JOURNAL OF PHYSICAL CHEMISTRY. 1975; 79 (11): 1118-1129

123

357

2500 CHATTERJEE S, DASGUPTA NK

PI-ELECTRON STRUCTURE OF SOME NONBENZENOID HYDROCARBONS USING BETA- VARIABLE METHOD

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1976; 49 (7): 1832-1837

358

2512 MICHL J

USE OF SEMIEMPIRICAL MODELS FOR CALCULATION OF B TERMS IN MCD SPECTRA - AROMATIC-HYDROCARBONS - PREDICTION OF SUBSTITUENT AND HETEROATOM EFFECTS FROM PPP MODEL

CHEMICAL PHYSICS LETTERS. 1976; 39 (2): 386-390

359

2516 MICHL J

USE OF SEMIEMPIRICAL MODELS FOR CALCULATION OF B TERMS IN MCD SPECTRA PPP MODEL FOR [4N + 2] ANNULENES - RULE FOR SUBSTITUENT AND HETEROATOM EFFECTS .6.

CHEMICAL PHYSICS LETTERS. 1976; 43 (3): 457-460

360

2606 YOSHINAGA T, HIRATSUKA H, TANIZAKI Y

ELECTRONIC ABSORPTION-SPECTRA OF PYRENE AND HYDROPYRENES

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1977; 50 (12): 3096-3102

Date / Author / Journal

361

RECENT PROGRESS IN STUDIES OF LINEAR AND MAGNETIC CIRCULAR-DICHROISM OF ORGANIC-MOLECULES

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1977; 12: 325-332

362

2660 KAITO A, HATANO M, TAJIRI A

CNDO TREATMENT FOR FARADAY-B TERMS OF SOME AZAHETEROCYCLES

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1977; 99 (16): 5241-5246

363

2693 MISURKIN IA, OVCHINNIKOV AA

ELECTRONIC-STRUCTURE AND PROPERTIES OF POLYMERIC MOLECULES WITH CONJUGATED BONDS

USPEKHI KHIMII. 1977; 46 (10): 1835-1870

161

364

2699 Niyogi BG, Mukherjee DC, Sannigrahi AB

Effect of Semi-Empirical Parameters on the Simple Random-Phase Approximation Calculations of Conjugated Hydrocarbons

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1977 OCT; 12 (4): 639-654

365

2789 LAUER G, SCHULTE KW, SCHWEIG A

LNDO-S, A SEMI-EMPIRICAL SCF-CI METHOD FOR CALCULATION OF IONIZATION- POTENTIALS AND ELECTRONIC-TRANSITION ENERGIES OF VALENCE-ELECTRONS

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1978; 100 (16): 4925-4935

101

366

2794 BAUMANN H

IMPORTANCE OF ELECTRON CORRELATION IN COMPUTING MOLECULAR ENERGIES AND STRUCTURES OF ANNULENES

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1978; 100 (23): 7196-7201

367

2796 DASGUPTA A, CHATTERJEE S, DASGUPTA NK

THEORETICAL STUDIES OF SOME NON-BENZENOID HYDROCARBONS .6. BENZODERIVATIVES OF ACEHEPTYLENE, AZUPYRENE AND DICYCLOHEPTA [CD,GH) PENTALENE

JOURNAL OF THE INDIAN CHEMICAL SOCIETY. 1978; 55 (9): 935-942

368

2904 VOLKOV VB, ZHOGOLEV DA

PARAMETERS FOR SEMI-EMPIRICAL MOLECULAR CALCULATIONS WITH COMPLETE NEGLECT OF DIFFERENTIAL-OVERLAP

JOURNAL OF STRUCTURAL CHEMISTRY. 1979; 20 (4): 584-602

369

2947 KAITO A, HATANO M

CNDO AND INDO CALCULATIONS OF THE MAGNETIC CIRCULAR-DICHROISM OF SEVERAL PURINE DERIVATIVES

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1980; 53 (11): 3064-3068

370

2948 KAITO A, HATANO M

STUDIES OF THE MAGNETIC CIRCULAR-DICHROISM AND TAUTOMERISM OF PYRIDINOLS (PYRIDINONES) AND PYRIMIDINOLS (PYRIMIDINONES)

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1980; 53 (11): 3069-3072

Date / Author / Journal

LCS

GCS

LCR

371

3048 LANGE A, TAVAN P, SCHRODER D, BAUMGARTEL H

THE ELECTRONIC-SPECTRA OF AMINOPHENAZINES

BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 1981; 85 (1): 78-85

372

3067 DICK B, HOHLNEICHER G

2-PHOTON SPECTROSCOPY OF THE LOW-LYING SINGLET-STATES OF NAPHTHALENE AND ACENAPHTHENE

CHEMICAL PHYSICS LETTERS. 1981; 84 (3): 471-478

373

3071 YAMAGUCHI H, ATA M, TOYODA K, MAMETSUKA H, TAKESHITA H, et al.

MAGNETIC CIRCULAR-DICHROISM AND ABSORPTION-SPECTRA OF 2-METHYL-1,3- DIAZAAZULENE

HELVETICA CHIMICA ACTA. 1981; 64 (7): 2356-2360

374

3098 BARALDI I

ON THE PI-PI SPECTRA OF 1-PHENYLBUTADIENE AND 1-PHENYLHEXATRIENE - A THEORETICAL-STUDY INCLUDING ELECTRON CORRELATION

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II. 1981; 77: 1715-1719

375

3149 SCHLOSSER DW, PHILPOTT MR

ENERGY-TRANSFER IN MOLECULAR-CRYSTALS - NON-DIPOLAR COULOMB EXCITON TRANSFER INTERACTIONS IN CRYSTALLINE NAPHTHALENE AND ANTHRACENE

JOURNAL OF CHEMICAL PHYSICS. 1982; 77 (4): 1969-1983

376

3177 VOGLER H

[2.2]PARACYCLOPHANE - THEORETICAL-STUDY OF ITS LOWER EXCITED-STATES AND OF THE ZERO-FIELD SPLITTING PARAMETERS D

MOLECULAR PHYSICS. 1982; 47 (5): 1179-1193

377

3188 FABIAN W

THEORETICAL-STUDIES ON THE ABSORPTION AND LUMINESCENCE BEHAVIOR OF SUBSTITUTED AROMATIC-COMPOUNDS

THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE. 1982; 7 (3-4): 249-264

378

3390 GOLDBECK RA, SWITKES E

LOCALIZED EXCITATION ANALYSIS OF THE SINGLET EXCITED-STATES OF POLYENES AND DIPHENYLPOLYENES

JOURNAL OF PHYSICAL CHEMISTRY. 1985; 89 (12): 2585-2591

379

3502 PAL SK, DASGUPTA NK, DASGUPTA A

THEORETICAL-STUDY OF NONBENZENOID HYDROCARBONS - BICYCLO[6.2.0]DECAPENTAENE AND RELATED-COMPOUNDS

INDIAN JOURNAL OF CHEMISTRY SECTION B-ORGANIC CHEMISTRY INCLUDING MEDICINAL CHEMISTRY. 1987 MAR; 26 (3): 243-247

380

3510 HIRANO K

EFFECT OF THE ELECTRON CORRELATIONAL SCREENING UPON THE CALCULATED TRANSITION ENERGIES OF AROMATIC-HYDROCARBONS

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1987 APR; 60 (4): 1231-1236

Date / Author / Journal

LCS

GCS

LCR

381

3541 TAVAN P, SCHULTEN K

ELECTRONIC EXCITATIONS IN FINITE AND INFINITE POLYENES

PHYSICAL REVIEW B. 1987 SEP 15; 36 (8): 4337-4358

307

382

3569 AMIRAV A, HORWITZ C, JORTNER J

OPTICAL SELECTION STUDIES OF ELECTRONIC RELAXATION FROM THE S-1 STATE OF JET-COOLED ANTHRACENE-DERIVATIVES

JOURNAL OF CHEMICAL PHYSICS. 1988 MAR 1; 88 (5): 3092-3110

106

383

3726 NEGRI F, ORLANDI G, ZERBETTO F, ZGIERSKI MZ

QUANTUM CHEMICAL AND VIBRONIC ANALYSIS OF THE 1 2B2REVERSIBLE12A2, 2(2B2) TRANSITION IN BENZYL-H7 AND BENZYL-D7 RADICALS

JOURNAL OF CHEMICAL PHYSICS. 1990 JUL 1; 93 (1): 600-608

384

3740 ERIKSSON S, KALLEBRING B, LARSSON S, MARTENSSON J, WENNERSTROM O

EXCITON SPLITTING IN THE SPECTRA OF COVALENTLY LINKED PORPHYRINS

CHEMICAL PHYSICS. 1990 SEP 15; 146 (1-2): 165-177

385

3888 KANIS DR, MARKS TJ, RATNER MA

CALCULATION OF QUADRATIC HYPERPOLARIZABILITIES FOR ORGANIC PI-ELECTRON CHROMOPHORES - MOLECULAR-GEOMETRY SENSITIVITY OF 2ND-ORDER NONLINEAR OPTICAL-RESPONSE

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1992 JUL 5; 43 (1): 61-82

386

3967 NAGAE H, KAKITANI T, KATOH T, MIMURO M

CALCULATION OF THE EXCITATION TRANSFER-MATRIX ELEMENTS BETWEEN THE S(2) OR S(1) STATE OF CAROTENOID AND THE S(2) OR S(1) STATE OF BACTERIOCHLOROPHYLL

JOURNAL OF CHEMICAL PHYSICS. 1993 MAY 15; 98 (10): 8012-8023

387

3973 FORNER W

EFFECTS OF DISORDER ON SOLITON DYNAMICS .2. SOLITONS IN TRANSPOLYACETYLENE WITHIN THE PARISER-PARR-POPLE MODEL(ALPHA)

THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE. 1993 JUN; 101 (3): 235-246

388

4141 ZILBERG S, HAAS Y, SHAIK S

ELECTRONIC-SPECTRUM OF ANTHRACENE - AN AB-INITIO MOLECULAR-ORBITAL CALCULATION COMBINED WITH A VALENCE-BOND INTERPRETATION

JOURNAL OF PHYSICAL CHEMISTRY. 1995 NOV 9; 99 (45): 16558-16565

389

4247 Ma J, Li SH, Jiang YS

Can the low-lying electronic states of benzenoid hydrocarbons be described by the semiempirical valence bond approach?

JOURNAL OF PHYSICAL CHEMISTRY A. 1997 JUN 26; 101 (26): 4770-4775

390

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

Date / Author / Journal

LCS

GCS

LCR

391

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

392

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

393

4687 Niedzwiedzki D, Koscielecki JF, Cong H, Sullivan JO, Gibson GN, et al.

Ultrafast dynamics and excited state spectra of open-chain carotenoids at room and low temperatures

JOURNAL OF PHYSICAL CHEMISTRY B. 2007 MAY 31; 111 (21): 5984-5998

394

4705 Mikhailov IA, Tafur S, Masunov AE

Double excitations and state-to-state transition dipoles in pi-pi* excited singlet states of linear polyenes: Time-dependent density- functional theory versus multiconfigurational methods

PHYSICAL REVIEW A. 2008 JAN; 77 (1): Art. No. 012510

395

4727 Cong H, Niedzwiedzki DM, Gibson GN, LaFountain AM, Kelsh RM, et al.

Ultrafast time-resolved carotenoid to-bacteriochlorophyll energy transfer in LH2 complexes from photosynthetic bacteria

JOURNAL OF PHYSICAL CHEMISTRY B. 2008 AUG 28; 112 (34): 10689-10703

396

4739 Hawke LGD, Kalosakas G, Simserides C

Empirical LCAO parameters for molecular orbitals in planar organic molecules

MOLECULAR PHYSICS. 2009; 107 (17): 1755-1771

181

397

227 MORITA T

SELF-CONSISTENT FIELD MOLECULAR ORBITAL TREATMENT OF BENZENIUM ION FOR A SIMPLIFIED MODEL OF HYPERCONJUGATION

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1960; 33 (11): 1486-1492

398

241 MCEWEN KL

ELECTRONIC STRUCTURES AND SPECTRA OF NITROMETHANE AND NITROGEN DIOXIDE

JOURNAL OF CHEMICAL PHYSICS. 1960; 32 (6): 1801-1814

399

388 HOYLAND JR, GOODMAN L

CHARGE DISTRIBUTIONS IN POSITIVE IONS AND IONIZATION ENERGIES OF CONJUGATED HYDROCARBONS

JOURNAL OF CHEMICAL PHYSICS. 1962; 36 (1): 12-&

113

400

396 KOUTECKY J, PALDUS J, ZAHRADNIK R

CALCULATION OF P-BAND POSITIONS OF AROMATIC POLYCYCLIC HYDROCARBONS BY LIMITED CONFIGURATION INTERACTION METHOD

JOURNAL OF CHEMICAL PHYSICS. 1962; 36 (12): 3129-&

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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