HistCite - papers citing Rudy Pariser

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#	Date / Author / Journal	LCS	GCS	LCR	CR
1995
4101	4101 Marquez F, Zabala I, Tomas F Dual fluorescence nature of N-phenylanthranilic acid ANALES DE QUIMICA. 1995; 91: 647-654	0	4	3	34
4102	4102 TIMTCHEVA I, PENTCHEV A, METSOV S, BAKALOVA S, KOLEVA V, et al. UNSYMMETRICAL AZINES OF 4-ACETYL-3-METHYL-1-PHENYL-5-PYRAZOLONE - SPECTRAL CHARACTERISTICS AND STRUCTURE DYES AND PIGMENTS. 1995; 28 (2): 131-138	0	3	2	24
4103	4103 DWORCZAK R, FABIAN WMF, PAWAR BN, JUNEK H SYNTHESES WITH NITRILES .97. PUSH-PULL DIARYLBUTADIENES AND DIARYLPENTADIENES - KNOWN CHROMOPHORES - NEW FACTS DYES AND PIGMENTS. 1995; 29 (1): 65-76	0	8	7	32
4104	4104 Inoue Y, Okumura K, Kitajima H, Takahashi I, Morita T, et al. Visible absorption spectra of aryl-p-benzoquinones by modified PPP MO calculation DYES AND PIGMENTS. 1995; 29 (4): 345-354	0	1	3	16
4105	4105 ISHIKAWA N, HEADGORDON M ANALYTICAL GRADIENT OF THE CIS(D) PERTURBATIVE CORRECTION TO SINGLE- EXCITATION CONFIGURATION-INTERACTION EXCITED-STATES INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1995; : 421-427	0	1	6	32
4106	4106 GHAITH A, ALFARHAN K, ALRESAYES S, MONSHI M, HASANEIN AA EXCITED-STATES DIPOLE-MOMENTS FROM SOLVENT SHIFT METHODS AND MO CALCULATIONS AFINIDAD. 1995 JAN-FEB; 52 (455): 25-30	0	0	11	45
4107	4107 KOTZIAN M, FOX T, ROSCH N CALCULATION OF ELECTRONIC-SPECTRA OF HYDRATED LN(III) IONS WITHIN THE INDO/S-CI APPROACH JOURNAL OF PHYSICAL CHEMISTRY. 1995 JAN 12; 99 (2): 600-605	0	6	6	49
4108	4108 KOZLOWSKI PM, DUPUIS M, DAVIDSON ER THE COPE REARRANGEMENT REVISITED WITH MULTIREFERENCE PERTURBATION- THEORY JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1995 JAN 18; 117 (2): 774-778	0	89	1	35
4109	4109 GUDIPATI MS, MAUS M, DAVERKAUSEN J, HOHLNEICHER G HIGHER EXCITED-STATES OF AROMATIC-HYDROCARBONS .3. ASSIGNING THE INPLANE POLARIZED TRANSITIONS OF LOW-SYMMETRY MOLECULES - CHRYSENE AND E-STILBENE CHEMICAL PHYSICS. 1995 FEB 15; 192 (1): 37-47	3	24	18	42
4110	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
#	Date / Author / Journal	LCS	GCS	LCR	CR
4111	4111 LIEB EH, NACHTERGAELE B STABILITY OF THE PEIERLS INSTABILITY FOR RING-SHAPED MOLECULES PHYSICAL REVIEW B. 1995 FEB 15; 51 (8): 4777-4791	2	41	3	57
4112	4112 MORLEY JO, CHARLTON MH THEORETICAL INVESTIGATION OF THE STRUCTURE AND SPECTRA OF ZINC PHTHALOCYANINES JOURNAL OF PHYSICAL CHEMISTRY. 1995 FEB 16; 99 (7): 1928-1934	0	25	11	44
4113	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
4114	4114 ICHIKAWA H, KAGAWA H POTENTIAL-ENERGY SURFACES CONCERNING DEFORMATION OF BENZENE JOURNAL OF PHYSICAL CHEMISTRY. 1995 FEB 23; 99 (8): 2307-2311	3	25	3	48
4115	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
4116	4116 DENNING RG CHROMOPHORES FOR 2ND-ORDER NONLINEAR OPTIC MATERIALS JOURNAL OF MATERIALS CHEMISTRY. 1995 MAR; 5 (3): 365-378	0	32	2	57
4117	4117 KIKUCHI H, ODAI K, SUZUKI H DYNAMICAL THEORY OF THE PHOTOISOMERIZATION OF RHODOPSIN CHROMOPHORE .2. HOW TO CALCULATE THE INTEGRALS RELATED WITH TRANSIENT PI-ELECTRONIC STATES JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN. 1995 MAR; 64 (3): 1011-1022	0	1	4	28
4118	4118 GIRLANDA R, MARTINO G, PELAGGI MR, GITTO R ELECTRONIC-PROPERTIES OF THIENODIAZEPINE AND BENZODIAZEPINE DERIVATIVES NUOVO CIMENTO DELLA SOCIETA ITALIANA DI FISICA D-CONDENSED MATTER ATOMIC MOLECULAR AND CHEMICAL PHYSICS FLUIDS PLASMAS BIOPHYSICS. 1995 MAR; 17 (3): 267-278	0	1	4	24
4119	4119 NAKANO M, YAMAGUCHI K NUMERICAL LIOUVILLE APPROACH - INTENSITY-DEPENDENT TRANSIENT LINEAR AND NONLINEAR-OPTICAL SUSCEPTIBILITIES CHEMICAL PHYSICS LETTERS. 1995 MAR 10; 234 (4-6): 323-329	0	8	4	22
4120	4120 OKAZAKI C, TAKEDA K ELECTRICALLY-INDUCED MEMORY EFFECT IN BACTERIORHODOPSIN JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS. 1995 APR; 34 (4A): 1963-1967	0	3	3	16
#	Date / Author / Journal	LCS	GCS	LCR	CR
4121	4121 DIETZ F, RABINOVITZ M, TADJER A, TYUTYULKOV N STRUCTURE AND ENERGY-SPECTRA OF MOLECULES CONTAINING ANTIAROMATIC RING- SYSTEMS .2. ENERGY-SPECTRA AND STABILIZATION OF SYSTEMS CONTAINING THE ANTIAROMATIC CYCLOHEPTATRIENIDE ANION JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2. 1995 APR; (4): 735-739	0	5	8	32
4122	4122 MUKHOPADHYAY D, HAYDEN GW, SOOS ZG MOLECULAR-EXCITON APPROACH TO SPIN-CHARGE CROSSOVERS IN DIMERIZED HUBBARD AND EXCITONIC CHAINS PHYSICAL REVIEW B. 1995 APR 15; 51 (15): 9476-9492	0	38	12	85
4123	4123 XU SM, CLARK LB POLARIZED VACUUM-ULTRAVIOLET SPECTRA OF CRYSTALLINE GLYCOLURIL - A UREA DIMERLIKE MOLECULE JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1995 APR 19; 117 (15): 4379-4386	0	6	7	26
4124	4124 SCHUTT J, SCHULTE J, BOHM MC, SOOS ZG RESOLUTION OF THE SIGN PROBLEM IN QUANTUM MONTE-CARLO SIMULATIONS OF ANNULENES MOLECULAR PHYSICS. 1995 APR 20; 84 (6): 1127-1137	9	17	6	32
4125	4125 PANKRATOV AN, SHMAKOV SL, SHCHAVLEV AE EVALUATION OF ELECTRONIC-SPECTRA OF UNSATURATED ORGANIC-COMPOUNDS USING THE PARISER-PARR-POPLE METHOD WITH ADAPTATION OF PARAMETERS CROATICA CHEMICA ACTA. 1995 MAY; 68 (2): 325-334	3	5	22	79
4126	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
4127	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
4128	4128 AKUTAGAWA T, SAITO G MULTIPLEX PROTON-TRANSFER AND ELECTRON-TRANSFER NATURES BASED ON THE 2,2'-BI-1H-IMIDAZOLE SYSTEM .1. ACID DISSOCIATION-CONSTANTS AND REDOX PROPERTIES IN SOLUTION BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1995 JUL; 68 (7): 1753-1773	0	35	7	135
4129	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
4130	4130 HUNGENBERG KD, WITTMER P APPLICATION OF MARKOV-CHAINS TO COPOLYMERIZATIONS MACROMOLECULAR THEORY AND SIMULATIONS. 1995 JUL; 4 (4): 773-800	0	2	1	43
#	Date / Author / Journal	LCS	GCS	LCR	CR
4131	4131 KOLLMAR C, BOHM MC AN ANALYSIS OF THE ZERO DIFFERENTIAL-OVERLAP APPROXIMATION - TOWARDS AN IMPROVED SEMIEMPIRICAL MO METHOD BEYOND IT THEORETICA CHIMICA ACTA. 1995 JUL; 92 (1): 13-47	2	6	28	109
4132	4132 TERESHATOV VV, SENICHEV VY STRESS-STRAIN BEHAVIOR OF CROSS-LINKED POLYBUTADIENE URETHANES VYSOKOMOLEKULYARNYE SOEDINENIYA SERIYA A & SERIYA B. 1995 JUL; 37 (7): 1166-1169	0	2	2	15
4133	4133 GROCHOWSKI J, RYS B, SERDA P, WAGNER U CONFORMATION IN THE SOLID-STATE AND IN SOLUTION OF (9R,10R,21R,22R)- 9,10,21,22-TETRAMETHYL-9,10,21,22-TETRAHYDRO-7H,12H,19H,24H-DINAPHTHO- [1,8-F,G/1',8'O,P][1.4.10.13]TETRAOXACYCLOOCTADECIN TETRAHEDRON-ASYMMETRY. 1995 AUG; 6 (8): 2059-2066	0	4	2	14
4134	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
4135	4135 CALZAFERRI G, RYTZ R ELECTRONIC-TRANSITION OSCILLATOR STRENGTH BY THE EXTENDED HUCKEL MOLECULAR-ORBITAL METHOD JOURNAL OF PHYSICAL CHEMISTRY. 1995 AUG 10; 99 (32): 12141-12150	2	40	5	82
4136	4136 BENDAZZOLI GL, EVANGELISTI S THE PPP MODEL OF ALTERNANT CYCLIC POLYENES WITH MODIFIED BOUNDARY- CONDITIONS INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1995 AUG 15; 55 (4): 347-359	0	4	12	46
4137	4137 SCHUTT J, BOHM MC GREENS-FUNCTION QUANTUM MONTE-CARLO METHOD IN THE PRESENCE OF TOPOLOGICAL SIGN PROBLEMS - PI-ELECTRONIC SYSTEMS MOLECULAR PHYSICS. 1995 AUG 20; 85 (6): 1217-1226	8	14	6	39
4138	4138 HOVGAARD L, BRONDSTED H DEXTRAN HYDROGELS FOR COLON-SPECIFIC DRUG-DELIVERY JOURNAL OF CONTROLLED RELEASE. 1995 SEP; 36 (1-2): 159-166	4	78	2	31
4139	4139 ASAI M, MARTINEZ A, FERNANDEZMAS R, FERNANDEZGUARDIOLA A PENICILLIN-G INDUCED INTERICTAL ACTIVITY INCREASES BOTH OPIOID PEPTIDE TISSUE CONTENT AND IN-VITRO RELEASE IN THE RAT-BRAIN NEUROPEPTIDES. 1995 SEP; 29 (3): 163-170	0	8	1	49
4140	4140 TERESHATOV VV VARIATION OF NETWORK PARAMETERS IN SEGMENTED POLYURETHANES INDUCED BY TENSILE DRAWING VYSOKOMOLEKULYARNYE SOEDINENIYA SERIYA A & SERIYA B. 1995 SEP; 37 (9): 1529-1534	0	5	3	10
#	Date / Author / Journal	LCS	GCS	LCR	CR
4141	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
4142	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
4143	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
4144	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
4145	4145 Scholz M, Gescheidt G, Schoberl U, Daub J Radical cations of precursor compounds for organic conductors derived from carbohydrates: An ESR study MAGNETIC RESONANCE IN CHEMISTRY. 1995 DEC; 33: S94-S97	0	1	2	34
4146	4146 CHENG WD, GUO GC, HUANG JS, LU JX INFLUENCE OF D-P PI-CONJUGATE INTERACTION UPON ELECTRONIC-SPECTRA IN SOME CLUSTER COMPOUNDS POLYHEDRON. 1995 DEC; 14 (23-24): 3649-3654	0	9	5	25
4147	4147 Fang Z, Liu ZL, Yao KL, Li ZG Studies of the ferromagnetic state in quasi-one-dimensional organic polymer ferromagnets COMMUNICATIONS IN THEORETICAL PHYSICS. 1995 DEC 15; 24 (4): 391-396	0	0	2	20
1996
4148	4148 Roos BO, Andersson K, Fulscher MP, Malmqvist PA, SerranoAndres L, et al. Multiconfigurational perturbation theory: Applications in electronic spectroscopy ADVANCES IN CHEMICAL PHYSICS, VOL XCIII. 1996; 93: 219-331	4	407	10	217
4149	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
4150	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
#	Date / Author / Journal	LCS	GCS	LCR	CR
4151	4151 Yamada Y, Hoshi T, Fukuda Y Electronic structure of (catecholato)(1,10-phenanthroline)copper(II): Intramolecular interligand electronic interactions JOURNAL OF COORDINATION CHEMISTRY. 1996; 38 (1-2): 1-13	0	11	7	36
4152	4152 Komatsuzaki T, Ohmine I Proton transfer in liquid water .2. A semiempirical method to describe chemical reactions MOLECULAR SIMULATION. 1996; 16 (4-6): 321-344	0	7	4	32
4153	4153 Hameka HF Early theoretical studies of third-order nonlinear electric susceptibilities NONLINEAR OPTICAL MATERIALS. 1996; 628: 102-115	0	0	9	74
4154	4154 Soos ZG, Mukhopadhyay D, Ramasesha S Model Hamiltonians for nonlinear optical properties of conjugated polymers NONLINEAR OPTICAL MATERIALS. 1996; 628: 189-210	0	1	15	88
4155	4155 Mullen K, Muller M, Tyutyulkov N, Dietz F Band structure of quasi-1-dimensional polycondensed pi-systems .4. Energy spectra of a class of 1-D ladder type polymers POLYCYCLIC AROMATIC COMPOUNDS. 1996; 8 (2-3): 183-188	0	1	4	19
4156	4156 Oganesyan ET, Pogrebnyak AV Application of semiempiric quantum-mechanic methods in the analysis of quantitative correlations of structure-biological activity ZHURNAL OBSHCHEI KHIMII. 1996; 66 (2): 277-285	0	4	6	110
4157	4157 Brondsted H, Hovgaard L, Simonsen L Dextran hydrogels for colon-specific drug delivery .2. Synthesis and characterization (vol 41, pg 341, 1995) EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS. 1996 JAN; 42 (1): 85-89	0	12	4	18
4158	4158 Mandal PK, Manoharan PT, Sinha B, Ramasesha S Diagrammatic valence bond studies on hemocyanin THEORETICA CHIMICA ACTA. 1996 JAN; 93 (1): 1-16	0	0	5	41
4159	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
4160	4160 SerranoAndres L, Roos BO Theoretical study of the absorption and emission spectra of indole in the gas phase and in a solvent JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1996 JAN 10; 118 (1): 185-195	3	128	8	79
#	Date / Author / Journal	LCS	GCS	LCR	CR
4161	4161 Chakrabarti A, Anusooya Y, Ramasesha S Correlated electronic states of C-60 fragments JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 1996 JAN 15; 361: 181-190	0	3	4	42
4162	4162 Schutt J, Bohm MC, Ramirez R Quantum delocalization of nuclei and electrons: Cyclobutadiene CHEMICAL PHYSICS LETTERS. 1996 JAN 19; 248 (5-6): 379-385	7	22	6	34
4163	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
4164	4164 Yu Y, Gunic E, Zinger B, Miller LL Spectra and reactivity of methoxyoligothiophene cation radicals JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1996 FEB 7; 118 (5): 1013-1018	2	120	2	46
4165	4165 Kobayashi N, Togashi M, Osa T, Ishii K, Yamauchi S, et al. Low symmetrical phthalocyanine analogues substituted with three crown ether voids and their cation-induced supermolecules JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1996 FEB 7; 118 (5): 1073-1085	5	90	8	94
4166	4166 Block S, Streitwolf HW Nucleation of optically excited solitons and breathers in trans- polyacetylene JOURNAL OF PHYSICS-CONDENSED MATTER. 1996 FEB 12; 8 (7): 889-900	0	20	1	18
4167	4167 Ghandehari H, Kopeckova P, Yeh PY, Kopecek J Biodegradable and pH sensitive hydrogels: Synthesis by a polymer- polymer reaction MACROMOLECULAR CHEMISTRY AND PHYSICS. 1996 MAR; 197 (3): 965-980	2	26	5	38
4168	4168 Nakayama M, Shimizu H, Akiyama S, Komura Y, Suzuki K, et al. The static Jahn-Teller effect in the excited electronic states of benzene, triphenylene, and coronene NIPPON KAGAKU KAISHI. 1996 MAR; (3): 231-240	0	1	7	34
4169	4169 Mracec M, Mracec M, Schmidt W, Sallo A, Timofei S, et al. PPP-CI calculations for some azo dyes REVUE ROUMAINE DE CHIMIE. 1996 MAR-APR; 41 (3-4): 275-282	0	0	4	12
4170	4170 Dutta AK Aggregation induced reabsorption of phenanthrene microcrystallites in ultrathin Langmuir-Blodgett films SOLID STATE COMMUNICATIONS. 1996 MAR; 97 (9): 785-790	0	6	2	23
#	Date / Author / Journal	LCS	GCS	LCR	CR
4171	4171 Citterio D, Rasonyi S, Spichiger UE Development of new dyes for use in integrated optical sensors FRESENIUS JOURNAL OF ANALYTICAL CHEMISTRY. 1996 APR; 354 (7-8): 836-840	0	14	3	13
4172	4172 Bachmann R, Gerson F, Putz C, Vogel E UV-VIS-near-IR, MO and EPR studies of five redox stages of an octaethyltetraoxa[26]porphyrin JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2. 1996 APR; (4): 541-546	0	7	1	17
4173	4173 Shimoi Y, Abe S Electronic and optical properties of neutral and charged poly(p- phenylene vinylene) SYNTHETIC METALS. 1996 APR 15; 78 (3): 219-226	4	45	5	50
4174	4174 Hashimoto T, Nakano H, Hirao K Theoretical study of the valence pi->pi* excited states of polyacenes: Benzene and naphthalene JOURNAL OF CHEMICAL PHYSICS. 1996 APR 22; 104 (16): 6244-6258	19	65	30	66
4175	4175 Musch R, Rohde E, Casselmann H Polychloroprene crosslinking for improved aging resistance KAUTSCHUK GUMMI KUNSTSTOFFE. 1996 MAY; 49 (5): 340-&	2	3	0	14
4176	4176 Sebold JH, Percus JK Model derived reduced density matrix restrictions for correlated fermions JOURNAL OF CHEMICAL PHYSICS. 1996 MAY 1; 104 (17): 6606-6612	0	3	1	18
4177	4177 Villar JIB, Peracho CV, Sancho CA Urinary infections in patients with no permanent vesical catheters .1. Risk factors, pathogenesis, etiology and clinical course MEDICINA CLINICA. 1996 MAY 11; 106 (18): 704-710	0	1	0	80
4178	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
4179	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
4180	4180 Lieb EH, Nachtergaele B Bond alternation in ring-shaped molecules: The stability of the Peierls instability INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1996 JUN 15; 58 (6): 699-706	0	5	5	45
#	Date / Author / Journal	LCS	GCS	LCR	CR
4181	4181 Kurihara T, Suzuki T, Wakabayashi H, Ishikawa S, Shindo K, et al. Electronic structures and oxidation potentials of some azulene derivatives BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1996 JUL; 69 (7): 2003-2008	0	13	6	53
4182	4182 Zhang Y, Firestone MA, Rauchfuss TB, Bohn PW Structural characterization of Langmuir-Blodgett films derived from multisulfur heterocycles JOURNAL OF PHYSICAL CHEMISTRY. 1996 AUG 8; 100 (32): 13804-13810	0	3	3	53
4183	4183 Schutt J, Bohm MC Influence of the Pauli antisymmetry and exclusion principle on the electronic structure of pi systems - A combined Green function quantum Monte Carlo and configuration interaction study PHYSICS LETTERS A. 1996 AUG 12; 219 (1-2): 79-85	6	16	6	17
4184	4184 Chen GH, Mukamel S Effective Hamiltonian for conjugated polyenes based on the ground state single-electron density matrix CHEMICAL PHYSICS LETTERS. 1996 AUG 23; 258 (5-6): 589-594	3	6	6	21
4185	4185 Nowaczek W, Piela L, Stolarczyk LZ Low-energy metastable electronic states of donor-acceptor oligomers ADVANCED MATERIALS FOR OPTICS AND ELECTRONICS. 1996 SEP-DEC; 6 (5-6): 301-306	0	5	4	9
4186	4186 Kalinina GI, Roter YA Control over the vulcanization of rubber MATERIALS SCIENCE. 1996 SEP-OCT; 32 (5): 614-617	0	0	1	7
4187	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
4188	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
4189	4189 Buma WJ, Zerbetto F Evidence of stringlike behavior in all-trans-octatetraene JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1996 SEP 25; 118 (38): 9178-9179	0	9	5	23
4190	4190 Kamiya K, Miyamae T, Oku M, Seki K, Inokuchi H, et al. Ultraviolet photoemission spectra of perchlorate-doped cis- and trans- polyacetylene JOURNAL OF PHYSICAL CHEMISTRY. 1996 OCT 3; 100 (40): 16213-16217	0	8	4	37
#	Date / Author / Journal	LCS	GCS	LCR	CR
4191	4191 Harcourt RD Increased-valence structures and hypervalent molecules INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1996 OCT 5; 60 (1): 553-566	4	25	4	108
4192	4192 Cheng WD, Chen JT, Huang JS, Zhang QE Theoretical studies of the electronic structures and linear, nonlinear optics of K3-xLi2+xNb5O15 with x=0 and x=1 CHEMICAL PHYSICS LETTERS. 1996 OCT 11; 261 (1-2): 66-74	2	15	5	22
4193	4193 Garcia VM, Caballol R, Malrieu JP Theoretical study of the ethylene electronic spectrum and extraction of an r-dependent Hubbard Hamiltonian CHEMICAL PHYSICS LETTERS. 1996 OCT 11; 261 (1-2): 98-104	0	26	4	29
4194	4194 Nalewajski RF, Korchowiec J Charge response study of the toluene-[V2O5] chemisorption clusters: Two reactant approach JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL. 1996 OCT 25; 112 (2): 167-194	4	14	4	35
4195	4195 Pankratov AN, Shmakov SL, Shchavlev AE Quantitative prediction of absorption maxima in the electronic spectra of unsaturated compounds: Extrapolation from fragments to molecules in quantum chemical calculations JOURNAL OF STRUCTURAL CHEMISTRY. 1996 NOV-DEC; 37 (6): 863-867	0	0	7	24
4196	4196 Gerouki A, Goldner MA, Goldner RB, Haas TE, Liu TY, et al. Density of states calculations of small diameter single graphene sheets JOURNAL OF THE ELECTROCHEMICAL SOCIETY. 1996 NOV; 143 (11): L262-L263	0	12	1	8
4197	4197 Chakrabarti A, Anusooya Y, Ramasesha S Properties of the correlated electronic states of pyrene and hydrogenated pyrene MOLECULAR PHYSICS. 1996 NOV; 89 (4): 1019-1032	0	1	11	44
4198	4198 Guttler F, Croci M, Renn A, Wild UP Single molecule polarization spectroscopy: Pentacene in p-terphenyl CHEMICAL PHYSICS. 1996 NOV 1; 211 (1-3): 421-430	0	31	4	41
4199	4199 Sarkar J, Mukherjee AK Factorization of interaction graphs with n-fold symmetry: Some applications in PPP calculation and molecular vibrational analysis INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1996 NOV 15; 60 (4): 825-832	0	0	16	39
4200	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

Date / Author / Journal

LCS

GCS

LCR

1995

4101

4101 Marquez F, Zabala I, Tomas F

Dual fluorescence nature of N-phenylanthranilic acid

ANALES DE QUIMICA. 1995; 91: 647-654

4102

4102 TIMTCHEVA I, PENTCHEV A, METSOV S, BAKALOVA S, KOLEVA V, et al.

UNSYMMETRICAL AZINES OF 4-ACETYL-3-METHYL-1-PHENYL-5-PYRAZOLONE - SPECTRAL CHARACTERISTICS AND STRUCTURE

DYES AND PIGMENTS. 1995; 28 (2): 131-138

4103

4103 DWORCZAK R, FABIAN WMF, PAWAR BN, JUNEK H

SYNTHESES WITH NITRILES .97. PUSH-PULL DIARYLBUTADIENES AND DIARYLPENTADIENES - KNOWN CHROMOPHORES - NEW FACTS

DYES AND PIGMENTS. 1995; 29 (1): 65-76

4104

4104 Inoue Y, Okumura K, Kitajima H, Takahashi I, Morita T, et al.

Visible absorption spectra of aryl-p-benzoquinones by modified PPP MO calculation

DYES AND PIGMENTS. 1995; 29 (4): 345-354

4105

4105 ISHIKAWA N, HEADGORDON M

ANALYTICAL GRADIENT OF THE CIS(D) PERTURBATIVE CORRECTION TO SINGLE- EXCITATION CONFIGURATION-INTERACTION EXCITED-STATES

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1995; : 421-427

4106

4106 GHAITH A, ALFARHAN K, ALRESAYES S, MONSHI M, HASANEIN AA

EXCITED-STATES DIPOLE-MOMENTS FROM SOLVENT SHIFT METHODS AND MO CALCULATIONS

AFINIDAD. 1995 JAN-FEB; 52 (455): 25-30

4107

4107 KOTZIAN M, FOX T, ROSCH N

CALCULATION OF ELECTRONIC-SPECTRA OF HYDRATED LN(III) IONS WITHIN THE INDO/S-CI APPROACH

JOURNAL OF PHYSICAL CHEMISTRY. 1995 JAN 12; 99 (2): 600-605

4108

4108 KOZLOWSKI PM, DUPUIS M, DAVIDSON ER

THE COPE REARRANGEMENT REVISITED WITH MULTIREFERENCE PERTURBATION- THEORY

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1995 JAN 18; 117 (2): 774-778

4109

4109 GUDIPATI MS, MAUS M, DAVERKAUSEN J, HOHLNEICHER G

HIGHER EXCITED-STATES OF AROMATIC-HYDROCARBONS .3. ASSIGNING THE INPLANE POLARIZED TRANSITIONS OF LOW-SYMMETRY MOLECULES - CHRYSENE AND E-STILBENE

CHEMICAL PHYSICS. 1995 FEB 15; 192 (1): 37-47

4110

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

Date / Author / Journal

LCS

GCS

LCR

4111

4111 LIEB EH, NACHTERGAELE B

STABILITY OF THE PEIERLS INSTABILITY FOR RING-SHAPED MOLECULES

PHYSICAL REVIEW B. 1995 FEB 15; 51 (8): 4777-4791

4112

4112 MORLEY JO, CHARLTON MH

THEORETICAL INVESTIGATION OF THE STRUCTURE AND SPECTRA OF ZINC PHTHALOCYANINES

JOURNAL OF PHYSICAL CHEMISTRY. 1995 FEB 16; 99 (7): 1928-1934

4113

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

4114

4114 ICHIKAWA H, KAGAWA H

POTENTIAL-ENERGY SURFACES CONCERNING DEFORMATION OF BENZENE

JOURNAL OF PHYSICAL CHEMISTRY. 1995 FEB 23; 99 (8): 2307-2311

4115

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

4116

4116 DENNING RG

CHROMOPHORES FOR 2ND-ORDER NONLINEAR OPTIC MATERIALS

JOURNAL OF MATERIALS CHEMISTRY. 1995 MAR; 5 (3): 365-378

4117

4117 KIKUCHI H, ODAI K, SUZUKI H

DYNAMICAL THEORY OF THE PHOTOISOMERIZATION OF RHODOPSIN CHROMOPHORE .2. HOW TO CALCULATE THE INTEGRALS RELATED WITH TRANSIENT PI-ELECTRONIC STATES

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN. 1995 MAR; 64 (3): 1011-1022

4118

4118 GIRLANDA R, MARTINO G, PELAGGI MR, GITTO R

ELECTRONIC-PROPERTIES OF THIENODIAZEPINE AND BENZODIAZEPINE DERIVATIVES

NUOVO CIMENTO DELLA SOCIETA ITALIANA DI FISICA D-CONDENSED MATTER ATOMIC MOLECULAR AND CHEMICAL PHYSICS FLUIDS PLASMAS BIOPHYSICS. 1995 MAR; 17 (3): 267-278

4119

4119 NAKANO M, YAMAGUCHI K

NUMERICAL LIOUVILLE APPROACH - INTENSITY-DEPENDENT TRANSIENT LINEAR AND NONLINEAR-OPTICAL SUSCEPTIBILITIES

CHEMICAL PHYSICS LETTERS. 1995 MAR 10; 234 (4-6): 323-329

4120

4120 OKAZAKI C, TAKEDA K

ELECTRICALLY-INDUCED MEMORY EFFECT IN BACTERIORHODOPSIN

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS. 1995 APR; 34 (4A): 1963-1967

Date / Author / Journal

LCS

GCS

LCR

4121

4121 DIETZ F, RABINOVITZ M, TADJER A, TYUTYULKOV N

STRUCTURE AND ENERGY-SPECTRA OF MOLECULES CONTAINING ANTIAROMATIC RING- SYSTEMS .2. ENERGY-SPECTRA AND STABILIZATION OF SYSTEMS CONTAINING THE ANTIAROMATIC CYCLOHEPTATRIENIDE ANION

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2. 1995 APR; (4): 735-739

4122

4122 MUKHOPADHYAY D, HAYDEN GW, SOOS ZG

MOLECULAR-EXCITON APPROACH TO SPIN-CHARGE CROSSOVERS IN DIMERIZED HUBBARD AND EXCITONIC CHAINS

PHYSICAL REVIEW B. 1995 APR 15; 51 (15): 9476-9492

4123

4123 XU SM, CLARK LB

POLARIZED VACUUM-ULTRAVIOLET SPECTRA OF CRYSTALLINE GLYCOLURIL - A UREA DIMERLIKE MOLECULE

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1995 APR 19; 117 (15): 4379-4386

4124

4124 SCHUTT J, SCHULTE J, BOHM MC, SOOS ZG

RESOLUTION OF THE SIGN PROBLEM IN QUANTUM MONTE-CARLO SIMULATIONS OF ANNULENES

MOLECULAR PHYSICS. 1995 APR 20; 84 (6): 1127-1137

4125

4125 PANKRATOV AN, SHMAKOV SL, SHCHAVLEV AE

EVALUATION OF ELECTRONIC-SPECTRA OF UNSATURATED ORGANIC-COMPOUNDS USING THE PARISER-PARR-POPLE METHOD WITH ADAPTATION OF PARAMETERS

CROATICA CHEMICA ACTA. 1995 MAY; 68 (2): 325-334

4126

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

4127

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

4128

4128 AKUTAGAWA T, SAITO G

MULTIPLEX PROTON-TRANSFER AND ELECTRON-TRANSFER NATURES BASED ON THE 2,2'-BI-1H-IMIDAZOLE SYSTEM .1. ACID DISSOCIATION-CONSTANTS AND REDOX PROPERTIES IN SOLUTION

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1995 JUL; 68 (7): 1753-1773

135

4129

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

4130

4130 HUNGENBERG KD, WITTMER P

APPLICATION OF MARKOV-CHAINS TO COPOLYMERIZATIONS

MACROMOLECULAR THEORY AND SIMULATIONS. 1995 JUL; 4 (4): 773-800

Date / Author / Journal

LCS

GCS

LCR

4131

4131 KOLLMAR C, BOHM MC

AN ANALYSIS OF THE ZERO DIFFERENTIAL-OVERLAP APPROXIMATION - TOWARDS AN IMPROVED SEMIEMPIRICAL MO METHOD BEYOND IT

THEORETICA CHIMICA ACTA. 1995 JUL; 92 (1): 13-47

109

4132

4132 TERESHATOV VV, SENICHEV VY

STRESS-STRAIN BEHAVIOR OF CROSS-LINKED POLYBUTADIENE URETHANES

VYSOKOMOLEKULYARNYE SOEDINENIYA SERIYA A & SERIYA B. 1995 JUL; 37 (7): 1166-1169

4133

4133 GROCHOWSKI J, RYS B, SERDA P, WAGNER U

CONFORMATION IN THE SOLID-STATE AND IN SOLUTION OF (9R,10R,21R,22R)- 9,10,21,22-TETRAMETHYL-9,10,21,22-TETRAHYDRO-7H,12H,19H,24H-DINAPHTHO- [1,8-F,G/1',8'O,P][1.4.10.13]TETRAOXACYCLOOCTADECIN

TETRAHEDRON-ASYMMETRY. 1995 AUG; 6 (8): 2059-2066

4134

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

4135

4135 CALZAFERRI G, RYTZ R

ELECTRONIC-TRANSITION OSCILLATOR STRENGTH BY THE EXTENDED HUCKEL MOLECULAR-ORBITAL METHOD

JOURNAL OF PHYSICAL CHEMISTRY. 1995 AUG 10; 99 (32): 12141-12150

4136

4136 BENDAZZOLI GL, EVANGELISTI S

THE PPP MODEL OF ALTERNANT CYCLIC POLYENES WITH MODIFIED BOUNDARY- CONDITIONS

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1995 AUG 15; 55 (4): 347-359

4137

4137 SCHUTT J, BOHM MC

GREENS-FUNCTION QUANTUM MONTE-CARLO METHOD IN THE PRESENCE OF TOPOLOGICAL SIGN PROBLEMS - PI-ELECTRONIC SYSTEMS

MOLECULAR PHYSICS. 1995 AUG 20; 85 (6): 1217-1226

4138

4138 HOVGAARD L, BRONDSTED H

DEXTRAN HYDROGELS FOR COLON-SPECIFIC DRUG-DELIVERY

JOURNAL OF CONTROLLED RELEASE. 1995 SEP; 36 (1-2): 159-166

4139

4139 ASAI M, MARTINEZ A, FERNANDEZMAS R, FERNANDEZGUARDIOLA A

PENICILLIN-G INDUCED INTERICTAL ACTIVITY INCREASES BOTH OPIOID PEPTIDE TISSUE CONTENT AND IN-VITRO RELEASE IN THE RAT-BRAIN

NEUROPEPTIDES. 1995 SEP; 29 (3): 163-170

4140

4140 TERESHATOV VV

VARIATION OF NETWORK PARAMETERS IN SEGMENTED POLYURETHANES INDUCED BY TENSILE DRAWING

VYSOKOMOLEKULYARNYE SOEDINENIYA SERIYA A & SERIYA B. 1995 SEP; 37 (9): 1529-1534

Date / Author / Journal

LCS

GCS

LCR

4141

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

4142

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

4143

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

4144

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

4145

4145 Scholz M, Gescheidt G, Schoberl U, Daub J

Radical cations of precursor compounds for organic conductors derived from carbohydrates: An ESR study

MAGNETIC RESONANCE IN CHEMISTRY. 1995 DEC; 33: S94-S97

4146

4146 CHENG WD, GUO GC, HUANG JS, LU JX

INFLUENCE OF D-P PI-CONJUGATE INTERACTION UPON ELECTRONIC-SPECTRA IN SOME CLUSTER COMPOUNDS

POLYHEDRON. 1995 DEC; 14 (23-24): 3649-3654

4147

4147 Fang Z, Liu ZL, Yao KL, Li ZG

Studies of the ferromagnetic state in quasi-one-dimensional organic polymer ferromagnets

COMMUNICATIONS IN THEORETICAL PHYSICS. 1995 DEC 15; 24 (4): 391-396

1996

4148

4148 Roos BO, Andersson K, Fulscher MP, Malmqvist PA, SerranoAndres L, et al.

Multiconfigurational perturbation theory: Applications in electronic spectroscopy

ADVANCES IN CHEMICAL PHYSICS, VOL XCIII. 1996; 93: 219-331

407

217

4149

4149 Nalewajski RF, Korchowiec J, Michalak A

Reactivity criteria in charge sensitivity analysis

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

111

4150

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

Date / Author / Journal

LCS

GCS

LCR

4151

4151 Yamada Y, Hoshi T, Fukuda Y

Electronic structure of (catecholato)(1,10-phenanthroline)copper(II): Intramolecular interligand electronic interactions

JOURNAL OF COORDINATION CHEMISTRY. 1996; 38 (1-2): 1-13

4152

4152 Komatsuzaki T, Ohmine I

Proton transfer in liquid water .2. A semiempirical method to describe chemical reactions

MOLECULAR SIMULATION. 1996; 16 (4-6): 321-344

4153

4153 Hameka HF

Early theoretical studies of third-order nonlinear electric susceptibilities

NONLINEAR OPTICAL MATERIALS. 1996; 628: 102-115

4154

4154 Soos ZG, Mukhopadhyay D, Ramasesha S

Model Hamiltonians for nonlinear optical properties of conjugated polymers

NONLINEAR OPTICAL MATERIALS. 1996; 628: 189-210

4155

4155 Mullen K, Muller M, Tyutyulkov N, Dietz F

Band structure of quasi-1-dimensional polycondensed pi-systems .4. Energy spectra of a class of 1-D ladder type polymers

POLYCYCLIC AROMATIC COMPOUNDS. 1996; 8 (2-3): 183-188

4156

4156 Oganesyan ET, Pogrebnyak AV

Application of semiempiric quantum-mechanic methods in the analysis of quantitative correlations of structure-biological activity

ZHURNAL OBSHCHEI KHIMII. 1996; 66 (2): 277-285

110

4157

4157 Brondsted H, Hovgaard L, Simonsen L

Dextran hydrogels for colon-specific drug delivery .2. Synthesis and characterization (vol 41, pg 341, 1995)

EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS. 1996 JAN; 42 (1): 85-89

4158

4158 Mandal PK, Manoharan PT, Sinha B, Ramasesha S

Diagrammatic valence bond studies on hemocyanin

THEORETICA CHIMICA ACTA. 1996 JAN; 93 (1): 1-16

4159

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

4160

4160 SerranoAndres L, Roos BO

Theoretical study of the absorption and emission spectra of indole in the gas phase and in a solvent

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1996 JAN 10; 118 (1): 185-195

128

Date / Author / Journal

LCS

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LCR

4161

4161 Chakrabarti A, Anusooya Y, Ramasesha S

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 1996 JAN 15; 361: 181-190

4162

4162 Schutt J, Bohm MC, Ramirez R

Quantum delocalization of nuclei and electrons: Cyclobutadiene

CHEMICAL PHYSICS LETTERS. 1996 JAN 19; 248 (5-6): 379-385

4163

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

4164

4164 Yu Y, Gunic E, Zinger B, Miller LL

Spectra and reactivity of methoxyoligothiophene cation radicals

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1996 FEB 7; 118 (5): 1013-1018

120

4165

4165 Kobayashi N, Togashi M, Osa T, Ishii K, Yamauchi S, et al.

Low symmetrical phthalocyanine analogues substituted with three crown ether voids and their cation-induced supermolecules

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1996 FEB 7; 118 (5): 1073-1085

4166

4166 Block S, Streitwolf HW

Nucleation of optically excited solitons and breathers in trans- polyacetylene

JOURNAL OF PHYSICS-CONDENSED MATTER. 1996 FEB 12; 8 (7): 889-900

4167

4167 Ghandehari H, Kopeckova P, Yeh PY, Kopecek J

Biodegradable and pH sensitive hydrogels: Synthesis by a polymer- polymer reaction

MACROMOLECULAR CHEMISTRY AND PHYSICS. 1996 MAR; 197 (3): 965-980

4168

4168 Nakayama M, Shimizu H, Akiyama S, Komura Y, Suzuki K, et al.

The static Jahn-Teller effect in the excited electronic states of benzene, triphenylene, and coronene

NIPPON KAGAKU KAISHI. 1996 MAR; (3): 231-240

4169

4169 Mracec M, Mracec M, Schmidt W, Sallo A, Timofei S, et al.

PPP-CI calculations for some azo dyes

REVUE ROUMAINE DE CHIMIE. 1996 MAR-APR; 41 (3-4): 275-282

4170

4170 Dutta AK

Aggregation induced reabsorption of phenanthrene microcrystallites in ultrathin Langmuir-Blodgett films

SOLID STATE COMMUNICATIONS. 1996 MAR; 97 (9): 785-790

Date / Author / Journal

LCS

GCS

LCR

4171

4171 Citterio D, Rasonyi S, Spichiger UE

Development of new dyes for use in integrated optical sensors

FRESENIUS JOURNAL OF ANALYTICAL CHEMISTRY. 1996 APR; 354 (7-8): 836-840

4172

4172 Bachmann R, Gerson F, Putz C, Vogel E

UV-VIS-near-IR, MO and EPR studies of five redox stages of an octaethyltetraoxa[26]porphyrin

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2. 1996 APR; (4): 541-546

4173

4173 Shimoi Y, Abe S

Electronic and optical properties of neutral and charged poly(p- phenylene vinylene)

SYNTHETIC METALS. 1996 APR 15; 78 (3): 219-226

4174

4174 Hashimoto T, Nakano H, Hirao K

Theoretical study of the valence pi->pi* excited states of polyacenes: Benzene and naphthalene

JOURNAL OF CHEMICAL PHYSICS. 1996 APR 22; 104 (16): 6244-6258

4175

4175 Musch R, Rohde E, Casselmann H

Polychloroprene crosslinking for improved aging resistance

KAUTSCHUK GUMMI KUNSTSTOFFE. 1996 MAY; 49 (5): 340-&

4176

4176 Sebold JH, Percus JK

Model derived reduced density matrix restrictions for correlated fermions

JOURNAL OF CHEMICAL PHYSICS. 1996 MAY 1; 104 (17): 6606-6612

4177

4177 Villar JIB, Peracho CV, Sancho CA

Urinary infections in patients with no permanent vesical catheters .1. Risk factors, pathogenesis, etiology and clinical course

MEDICINA CLINICA. 1996 MAY 11; 106 (18): 704-710

4178

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

4179

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

4180

4180 Lieb EH, Nachtergaele B

Bond alternation in ring-shaped molecules: The stability of the Peierls instability

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1996 JUN 15; 58 (6): 699-706

Date / Author / Journal

LCS

GCS

LCR

4181

4181 Kurihara T, Suzuki T, Wakabayashi H, Ishikawa S, Shindo K, et al.

Electronic structures and oxidation potentials of some azulene derivatives

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1996 JUL; 69 (7): 2003-2008

4182

4182 Zhang Y, Firestone MA, Rauchfuss TB, Bohn PW

Structural characterization of Langmuir-Blodgett films derived from multisulfur heterocycles

JOURNAL OF PHYSICAL CHEMISTRY. 1996 AUG 8; 100 (32): 13804-13810

4183

4183 Schutt J, Bohm MC

Influence of the Pauli antisymmetry and exclusion principle on the electronic structure of pi systems - A combined Green function quantum Monte Carlo and configuration interaction study

PHYSICS LETTERS A. 1996 AUG 12; 219 (1-2): 79-85

4184

4184 Chen GH, Mukamel S

Effective Hamiltonian for conjugated polyenes based on the ground state single-electron density matrix

CHEMICAL PHYSICS LETTERS. 1996 AUG 23; 258 (5-6): 589-594

4185

4185 Nowaczek W, Piela L, Stolarczyk LZ

Low-energy metastable electronic states of donor-acceptor oligomers

ADVANCED MATERIALS FOR OPTICS AND ELECTRONICS. 1996 SEP-DEC; 6 (5-6): 301-306

4186

4186 Kalinina GI, Roter YA

Control over the vulcanization of rubber

MATERIALS SCIENCE. 1996 SEP-OCT; 32 (5): 614-617

4187

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

4188

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

4189

4189 Buma WJ, Zerbetto F

Evidence of stringlike behavior in all-trans-octatetraene

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1996 SEP 25; 118 (38): 9178-9179

4190

4190 Kamiya K, Miyamae T, Oku M, Seki K, Inokuchi H, et al.

Ultraviolet photoemission spectra of perchlorate-doped cis- and trans- polyacetylene

JOURNAL OF PHYSICAL CHEMISTRY. 1996 OCT 3; 100 (40): 16213-16217

Date / Author / Journal

4191

Increased-valence structures and hypervalent molecules

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1996 OCT 5; 60 (1): 553-566

108

4192

4192 Cheng WD, Chen JT, Huang JS, Zhang QE

Theoretical studies of the electronic structures and linear, nonlinear optics of K3-xLi2+xNb5O15 with x=0 and x=1

CHEMICAL PHYSICS LETTERS. 1996 OCT 11; 261 (1-2): 66-74

4193

4193 Garcia VM, Caballol R, Malrieu JP

Theoretical study of the ethylene electronic spectrum and extraction of an r-dependent Hubbard Hamiltonian

CHEMICAL PHYSICS LETTERS. 1996 OCT 11; 261 (1-2): 98-104

4194

4194 Nalewajski RF, Korchowiec J

Charge response study of the toluene-[V2O5] chemisorption clusters: Two reactant approach

JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL. 1996 OCT 25; 112 (2): 167-194

4195

4195 Pankratov AN, Shmakov SL, Shchavlev AE

Quantitative prediction of absorption maxima in the electronic spectra of unsaturated compounds: Extrapolation from fragments to molecules in quantum chemical calculations

JOURNAL OF STRUCTURAL CHEMISTRY. 1996 NOV-DEC; 37 (6): 863-867

4196

4196 Gerouki A, Goldner MA, Goldner RB, Haas TE, Liu TY, et al.

Density of states calculations of small diameter single graphene sheets

JOURNAL OF THE ELECTROCHEMICAL SOCIETY. 1996 NOV; 143 (11): L262-L263

4197

4197 Chakrabarti A, Anusooya Y, Ramasesha S

Properties of the correlated electronic states of pyrene and hydrogenated pyrene

MOLECULAR PHYSICS. 1996 NOV; 89 (4): 1019-1032

4198

4198 Guttler F, Croci M, Renn A, Wild UP

Single molecule polarization spectroscopy: Pentacene in p-terphenyl

CHEMICAL PHYSICS. 1996 NOV 1; 211 (1-3): 421-430

4199

4199 Sarkar J, Mukherjee AK

Factorization of interaction graphs with n-fold symmetry: Some applications in PPP calculation and molecular vibrational analysis

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1996 NOV 15; 60 (4): 825-832

4200

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

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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