HistCite - papers citing Rudy Pariser

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#	Date / Author / Journal	LCS	GCS	LCR	CR
1996
4201	4201 Hirao K, Nakano H, Nakayama K, Dupuis M A complete active space valence bond (CASVB) method JOURNAL OF CHEMICAL PHYSICS. 1996 NOV 22; 105 (20): 9227-9239	8	46	4	49
4202	4202 Reisch H, Wiesler U, Scherf U, Tuytuylkov N Poly(indenofluorene) (PIF), a novel low band gap polyhydrocarbon MACROMOLECULES. 1996 DEC 2; 29 (25): 8204-8210	2	42	3	34
4203	4203 Aaron JJ, Maafi M, Kersebet C, Parkanyi C, Antonious MS, et al. A solvatochromic study of new benzo[a]phenothiazines for the determination of dipole moments and specific solute-solvent interactions in the first excited singlet state JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY. 1996 DEC 6; 101 (2-3): 127-136	2	22	4	41
4204	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
4205	4205 DiBella S, Fragala I, Marks TJ, Ratner MA Large second-order optical nonlinearities in open-shell chromophores. Planar metal complexes and organic radical ion aggregates JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1996 DEC 18; 118 (50): 12747-12751	0	67	7	49
4206	4206 Nalewajski RF, Michalak A Charge sensitivity and bond-order analysis of reactivity trends in allyl-[MoO3] chemisorption systems: Two-reactant approach JOURNAL OF PHYSICAL CHEMISTRY. 1996 DEC 19; 100 (51): 20076-20088	3	19	4	32
4207	4207 Cheng WD, Chen JT, Huang JS, Zhang QE Electronic structures and optical properties of LiB3O5, Li2B4O7 and KBe2BO3F2 JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS. 1996 DEC 21; 92 (24): 5073-5079	2	4	6	34
1997
4208	4208 Callis PR Two-photon-induced fluorescence ANNUAL REVIEW OF PHYSICAL CHEMISTRY. 1997; 48: 271-297	0	46	27	236
4209	4209 Gescheidt G, Barbosa F, Daub J, Bindl J Application of quantum-chemical methods including density functional theory for the interpretation of isotropic hyperfine data. The example of azulenebenzoquinone APPLIED MAGNETIC RESONANCE. 1997; 13 (3-4): 405-413	0	0	4	34
4210	4210 Bhattacharjee AK, Pundlik SS, Gadre SR Conformational and electrostatic properties of naphthazarin, juglone, and naphthoquinone: An ab initio theoretical study CANCER INVESTIGATION. 1997; 15 (6): 531-541	0	4	3	38
#	Date / Author / Journal	LCS	GCS	LCR	CR
4211	4211 Mestechkin M, Whyman G, Klimko G Nonlinear optical properties of alternant fullerene C-48. FULLERENE SCIENCE AND TECHNOLOGY. 1997; 5 (1): 195-203	0	2	1	15
4212	4212 Chiang Y, Kresge AJ, Hellrung B, Schunemann P, Wirz J Flash photolysis of 5-methyl-1,4-naphthoquinone in aqueous solution: Kinetics and mechanism of photoenolization and of enol trapping HELVETICA CHIMICA ACTA. 1997; 80 (4): 1106-1121	0	16	3	44
4213	4213 Saito N, Ichijima S A study on the hue of the novel acylacetanilide azomethine dye INTERNATIONAL SYMPOSIUM ON SILVER HALIDE IMAGING: RECENT ADVANCES AND FUTURE OPPORTUNITIES IN SILVER HALIDE IMAGING. 1997; : 230-232	0	0	0	7
4214	4214 Kurisawa M, Terano M, Yui N Double-stimuli-responsive degradation of hydrogels consisting of oligopeptide-terminated poly(ethylene glycol) and dextran with an interpenetrating polymer network JOURNAL OF BIOMATERIALS SCIENCE-POLYMER EDITION. 1997; 8 (9): 691-708	5	25	1	26
4215	4215 Dong SJ, Liu BF, Liu JL, Kobayashi N Cobalt Octaethyltetrapyrazinoporphyrazine: Spectroscopy, and Electrocatalytic and Kinetic Study of Dioxygen Reduction at a Glassy Carbon Electrode JOURNAL OF PORPHYRINS AND PHTHALOCYANINES. 1997; 1 (4): 333-340	2	13	4	35
4216	4216 Baumgarten M, Zhang JP, Okada K, Tyutyulkov N Intramolecular exchange interaction in xylylene type biradicals. MOLECULAR CRYSTALS AND LIQUID CRYSTALS SCIENCE AND TECHNOLOGY SECTION A-MOLECULAR CRYSTALS AND LIQUID CRYSTALS. 1997; 305: 509-514	0	10	3	24
4217	4217 Avramenko GV, Anpenova EP, Bezuglaya ZV Synthesis and study of ligands containing hydrazone groups - XIV. Structure and spectral characteristics of N-pyrazolylformazanes ZHURNAL OBSHCHEI KHIMII. 1997; 67 (10): 1730-1736	0	1	1	27
4218	4218 Bredas JL Electronic structure and optical properties of conducting and semiconducting conjugated oligomers and polymers: An overview of the quantum-mechanical approaches SYNTHETIC METALS. 1997 JAN; 84 (1-3): 3-10	0	18	4	45
4219	4219 Jas GS, Kuczera K Ab initio calculations of S-1 excited state vibrational spectra of benzene, naphthalene and anthracene CHEMICAL PHYSICS. 1997 JAN 15; 214 (2-3): 229-241	2	39	8	52
4220	4220 Nalewajski RF Charge response criteria of chemical reactivity: Fukui function indices and populational reference frames reflecting the interreactant charge coupling INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1997 JAN 15; 61 (2): 181-196	1	12	3	38
#	Date / Author / Journal	LCS	GCS	LCR	CR
4221	4221 Kobayashi M, Yuan XH, Shinbo N, Watanabe M, Matsumoto M, et al. A unified theory of uniaxially- and biaxially-stretched film methods: Three-dimensional reduced spectra of perylene BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1997 FEB; 70 (2): 321-327	0	0	6	15
4222	4222 Fagerstrom J, Stafstrom S Inter- and intrachain electron-hole recombination in polythiophene. SYNTHETIC METALS. 1997 FEB 15; 85 (1-3): 1065-1068	0	4	1	10
4223	4223 Chakrabarti A, Mazumdar S Essential excitations in phenylene-based conjugated polymers SYNTHETIC METALS. 1997 FEB 15; 85 (1-3): 1121-1122	0	2	3	6
4224	4224 Wang SJ, Huang YH, Cong GM Study on nitrile-butadiene rubber/poly(propylene carbonate) elastomer as coupling agent of poly(vinyl chloride)/poly(propylene carbonate) blends .1. Effect on mechanical properties of blends JOURNAL OF APPLIED POLYMER SCIENCE. 1997 FEB 28; 63 (9): 1107-1111	0	13	1	12
4225	4225 Fagerstrom J, Stafstrom S Geometrical and optical properties of fullerene polymers SYNTHETIC METALS. 1997 FEB 28; 86 (1-3): 2393-2394	0	2	1	6
4226	4226 Sorek Y, Zevin M, Reisfeld R, Hurvits T, Ruschin S Zirconia and zirconia-ORMOSIL planar waveguides prepared at room temperature CHEMISTRY OF MATERIALS. 1997 MAR; 9 (3): 670-676	0	106	1	36
4227	4227 Mohammad M, Khan AY, Subhani MS, Yousaf M MO calculations to interpret optical spectra of MV: and related species JOURNAL OF THE CHEMICAL SOCIETY OF PAKISTAN. 1997 MAR; 19 (1): 1-7	0	2	4	37
4228	4228 Mizouchi H, Ikawa A, Fukutome H Electronic structures of ions of m-phenylenebis(phenylmethylene) .1. UHF studies JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN. 1997 MAR; 66 (3): 881-891	2	6	3	42
4229	4229 Antonious MS Solvent polarity indicators: Flexible styrylpyridinium and quinolinium fluorescence probes for medium free-volume SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. 1997 MAR; 53 (3): 317-324	0	9	3	44
4230	4230 Melrose MP The delocalisation energy of benzene and the non-empirical MO theory THEORETICA CHIMICA ACTA. 1997 MAR; 95 (3-4): 67-79	0	1	7	25
#	Date / Author / Journal	LCS	GCS	LCR	CR
4231	4231 Tirosh B, Baluom M, Nassar T, Friedman M, Rubinstein A The effect of Eudragit RL-100 on the mechanical and mucoadhesion properties of polycarbophil dosage forms JOURNAL OF CONTROLLED RELEASE. 1997 MAR 3; 45 (1): 57-64	0	16	1	17
4232	4232 Peslherbe GH, Bianco R, Hynes JT, Ladanyi BM On the photodissociation of alkali-metal halides in solution JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS. 1997 MAR 7; 93 (5): 977-988	3	35	5	97
4233	4233 doRego AMB, Vilar MR, daSilva JL Mechanisms of vibrational and electronic excitations of polystyrene films in high resolution electron energy loss spectroscopy JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA. 1997 APR; 85 (1-2): 81-91	0	24	1	27
4234	4234 vanWalree CA, Franssen O, Marsman AW, Flipse MC, Jenneskens LW Second-order nonlinear optical properties of stilbene, benzylideneaniline and azobenzene derivatives. The effect of pi-bridge nitrogen insertion on the first hyperpolarizability JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2. 1997 APR; (4): 799-807	3	33	6	58
4235	4235 Krasov AP, Mit VA, Fedorova LS, Komarova LI, Papkov VS, et al. Cross-linked polyimides with pyromellitimide fragments between cross- links VYSOKOMOLEKULYARNYE SOEDINENIYA SERIYA A & SERIYA B. 1997 APR; 39 (4): 600-605	0	4	1	15
4236	4236 Hasegawa M, Inomaki Y, Inayoshi T, Hoshi T, Kobayashi M Electronic transitions and electronic structure of bis(tropolonato) copper(II) INORGANICA CHIMICA ACTA. 1997 APR 30; 257 (2): 259-264	1	19	8	21
4237	4237 Hasegawa M, Yamada Y, Inayoshi T, Kobayashi M, Hoshi T The electronic structure of N,N'-disalicylidene-o-phenylenediamine NIPPON KAGAKU KAISHI. 1997 MAY; (5): 355-364	1	2	11	34
4238	4238 Maus M, Rettig W The electronic structure of 4-(N,N-dimethylamino)-4'-cyano-biphenyl and its planar and twisted model compounds CHEMICAL PHYSICS. 1997 MAY 15; 218 (1-2): 151-162	0	30	11	52
4239	4239 Fortunelli A, Painelli A On the ab initio evaluation of Hubbard parameters .1. The analytical approach in the absence of orbital relaxation JOURNAL OF CHEMICAL PHYSICS. 1997 MAY 15; 106 (19): 8041-8050	5	11	6	72
4240	4240 Randic M Resonance in catacondensed benzenoid hydrocarbons INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1997 MAY 20; 63 (2): 585-600	1	30	4	49
#	Date / Author / Journal	LCS	GCS	LCR	CR
4241	4241 Catani L, Gellini C, Salvi PR, Marconi G The low-lying excited states of 1,6-methano[10] annulene JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY. 1997 MAY 30; 105 (2-3): 123-127	2	5	8	22
4242	4242 Karlsson HO, Bendazzoli GL, Goscinski O, Evangelisti S Density of states of alternant cyclic polyenes (CH)(N) by a direct Lanczos method INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1997 JUN 5; 63 (3): 719-728	0	1	4	35
4243	4243 Chaudhuri RK, Mudholkar A, Freed KF, Martin CH, Sun HS Application of the effective valence shell Hamiltonian method to accurate estimation of valence and Rydberg states oscillator strengths and excitation energies for pi electron systems JOURNAL OF CHEMICAL PHYSICS. 1997 JUN 8; 106 (22): 9252-9264	1	28	16	114
4244	4244 Beljonne D, OKeefe GE, Hamer PJ, Friend RH, Anderson HL, et al. Investigation of the linear and nonlinear optical response of edge- linked conjugated zinc porphyrin oligomers by optical spectroscopy and configuration interaction techniques JOURNAL OF CHEMICAL PHYSICS. 1997 JUN 15; 106 (23): 9439-9460	1	76	4	54
4245	4245 Fortunelli A, Painelli A Ab initio estimate of Hubbard model parameters: A simple procedure applied to BEDT-TTF salts PHYSICAL REVIEW B. 1997 JUN 15; 55 (24): 16088-16095	1	35	7	67
4246	4246 Tyutyulkov N, Dietz F, Mullen K, Baumgarten M Structure and energy spectra of a two-dimensional dielectric carbon allotrope CHEMICAL PHYSICS LETTERS. 1997 JUN 20; 272 (1-2): 111-114	0	6	7	29
4247	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
4248	4248 Tomonari M, Ookubo N, Takada T, Hirayama H Hyperpolarizabilities of Si clusters: Model calculations to interpret second-harmonic generation from SiO2/Si(111) interface CHEMICAL PHYSICS LETTERS. 1997 JUN 27; 272 (3-4): 199-208	0	9	5	31
4249	4249 Harcourt RD Increased-valence structures and some valence bond representations for reaction mechanisms JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 1997 JUN 30; 398: 93-100	3	4	4	53
4250	4250 Germain A, Millie P Localization of sigma molecular orbitals: Towards a better description of the electronic excited states of large conjugated molecules CHEMICAL PHYSICS. 1997 JUL 1; 219 (2-3): 265-278	0	10	8	34
#	Date / Author / Journal	LCS	GCS	LCR	CR
4251	4251 Bohm MC, Schutt J Peculiarities in the quantum statistics of pi electron systems PHYSICS LETTERS A. 1997 JUL 21; 232 (1-2): 106-114	0	5	6	22
4252	4252 Wiberg KB Properties of some condensed aromatic systems JOURNAL OF ORGANIC CHEMISTRY. 1997 AUG 22; 62 (17): 5720-5727	4	76	11	59
4253	4253 Matsunuma S Theoretical simulation of resonance Raman bands of amorphous carbon THIN SOLID FILMS. 1997 AUG 28; 306 (1): 17-22	0	14	1	27
4254	4254 Ramirez R, Schulte J, Bohm MC All-quantum description of molecules: electrons and nuclei of C6H6 CHEMICAL PHYSICS LETTERS. 1997 AUG 29; 275 (3-4): 377-385	3	12	3	33
4255	4255 Senet P Chemical hardnesses of atoms and molecules from frontier orbitals CHEMICAL PHYSICS LETTERS. 1997 SEP 5; 275 (5-6): 527-532	1	19	3	31
4256	4256 Liu SB, DeProft F, Parr RG Simplified models for hardness kernel and calculations of global hardness JOURNAL OF PHYSICAL CHEMISTRY A. 1997 SEP 11; 101 (37): 6991-6997	1	31	2	44
4257	4257 Kachkovski AD, Kovalenko NM Electronic properties of polymethine systems .4. Vinylene shift DYES AND PIGMENTS. 1997 OCT; 35 (2): 131-148	0	4	4	35
4258	4258 Bohm MC, Schutt J Quantum constraints in pi systems: The role of the Pauli antisymmetry principle for pi electronic properties ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES. 1997 OCT; 52 (10): 717-726	2	9	7	28
4259	4259 Nijegorodov N, Ramachandran V, Winkoun DP The dependence of the absorption and fluorescence parameters, the intersystem crossing and internal conversion rate constants on the number of rings in polyacene molecules SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. 1997 OCT 1; 53 (11): 1813-1824	2	43	4	27
4260	4260 Valdemoro C, DeLaraCastells MP, Bochicchio R, PerezRomero E Relevant space within the spin-adapted reduced Hamiltonian theory .2. Study of the pi cloud in benzene and naphthalene INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1997 OCT 15; 65 (2): 107-119	0	2	3	24
#	Date / Author / Journal	LCS	GCS	LCR	CR
4261	4261 Nijegorodov N, Winkoun DP Dependence of the fluorescence parameters and the intersystem crossing rate constant on the orbital nature of the s(1) state of catacondensed aromatics SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. 1997 OCT 15; 53 (12): 2013-2022	0	5	4	27
4262	4262 Forner W Comparative application of different approaches for band structure calculations on polyparaphenylene in the Pariser-Parr-Pople model .1. The mean field (Hartree-Fock) approximation and localized Wannierfunctions PHYSICA SCRIPTA. 1997 NOV; 56 (5): 490-505	2	3	7	109
4263	4263 Forner W Comparative application of different approaches for band structure calculations on polyparaphenylene in the Pariser-Parr-Pople model .2. Moller-Plesset and coupled cluster methods PHYSICA SCRIPTA. 1997 NOV; 56 (5): 506-526	1	2	18	155
4264	4264 Beljonne D, Shuai Z, SerranoAndres L, Bredas JL The dominant one- and two-photon excited states in the nonlinear optical response of octatetraene: ab initio versus semiempirical theoretical descriptions CHEMICAL PHYSICS LETTERS. 1997 NOV 7; 279 (1-2): 1-8	3	13	6	25
4265	4265 Slawik M, Petelenz P Theoretical interpretation of the electroabsorption spectra of polyacene crystals .1. Role of Frenkel states JOURNAL OF CHEMICAL PHYSICS. 1997 NOV 8; 107 (18): 7114-7119	0	16	4	27
4266	4266 Bohm MC, Schulte J, Schutt J, SchedelNiedrig T, Werner H, et al. BaxC60 fullerides: pi electronic peculiarities of the C-60 molecule and their consequences for the solid state INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1997 NOV 15; 65 (4): 333-373	1	9	8	87
4267	4267 Zhao H, Fu RT, Sun X, Zhang ZL Off-diagonal interactions, bond density correlation, and their effects on the excitons in conjugated polymers PHYSICAL REVIEW B. 1997 NOV 15; 56 (19): 12268-12276	0	7	3	44
4268	4268 Chandross M, Shimoi Y, Mazumdar S Systematic characterization of excited states in pi-conjugated polymers CHEMICAL PHYSICS LETTERS. 1997 NOV 28; 280 (1-2): 85-90	2	16	5	24
4269	4269 Spanget-Larsen J The alternant hydrocarbon pairing theorem and all-valence electrons theory. An approximate LCOAO theory for the electronic absorption and MCD spectra of conjugated organic compounds, part 2 THEORETICAL CHEMISTRY ACCOUNTS. 1997 DEC; 98 (2-3): 137-153	2	12	59	179
4270	4270 Hirao K, Nakano H, Nakayama K A complete active space valence bond method with nonorthogonal orbitals JOURNAL OF CHEMICAL PHYSICS. 1997 DEC 15; 107 (23): 9966-9974	4	24	3	35
#	Date / Author / Journal	LCS	GCS	LCR	CR
4271	4271 Gallagher FB, Mazumdar S Excitons and optical absorption in one-dimensional extended Hubbard models with short- and long-range interactions PHYSICAL REVIEW B. 1997 DEC 15; 56 (23): 15025-15039	5	35	8	65
4272	4272 Schutt J, Bohm MC Convergence behaviour of Green's function quantum Monte Carlo simulations of pi electron systems MOLECULAR PHYSICS. 1997 DEC 20; 92 (6): 997-1005	1	1	6	32
1998
4273	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
4274	4274 Cheng WD, Huang JS, Lu JX Electronic structures and nonlinear optical coefficients of beta-BaB2O4 PHYSICAL REVIEW B. 1998 JAN 15; 57 (3): 1527-1533	1	15	8	28
4275	4275 Martin CH, Birge RR Reparametrizing MNDO for excited-state calculations by using ab initio effective Hamiltonian theory: Application to the 2,4-pentadien-1- iminium cation JOURNAL OF PHYSICAL CHEMISTRY A. 1998 JAN 29; 102 (5): 852-860	3	34	6	43
4276	4276 Bhatt VD, Ray A Synthesis, characterization and electrical conductivity of polyesters, polyamides and doped polymers SYNTHETIC METALS. 1998 JAN 30; 92 (2): 115-120	0	3	6	22
4277	4277 Bohm MC, Ramirez R, Schulte J Electrons and nuclei of C6H6 and C6D6; a combined Feynman path integral - ab initio approach CHEMICAL PHYSICS. 1998 FEB 15; 227 (3): 271-300	3	21	5	76
4278	4278 Sauter-Fischer S, Runge E, Zimmermann R Partial dephasing in interacting many-particle systems and current echo PHYSICAL REVIEW B. 1998 FEB 15; 57 (8): 4299-4303	0	4	4	29
4279	4279 Athanasopoulos DC, Schmidt KE An isotropic hopping model for singly charged Xe clusters JOURNAL OF PHYSICAL CHEMISTRY A. 1998 FEB 26; 102 (9): 1615-1624	0	4	2	37
4280	4280 Matsuzaki Y, Tanaka K, Yamabe T Influence of backbone conformation on the third-order optical nonlinearity in polyacetylene CHEMICAL PHYSICS LETTERS. 1998 FEB 27; 284 (3-4): 261-266	0	0	5	29
#	Date / Author / Journal	LCS	GCS	LCR	CR
4281	4281 Tyutyulkov N, Madjarova G, Dietz F, Karamantcheva I Structure and energy spectra of non-alternant analogues of the di- and triphenylmethine radicals and their ions DYES AND PIGMENTS. 1998 MAR; 36 (3): 205-213	0	0	4	28
4282	4282 Catani L, Gellini C, Salvi PR Excited states of 1,6-methano[10]annulene: Site selection fluorescence and fluorescence excitation spectroscopy on S-1 JOURNAL OF PHYSICAL CHEMISTRY A. 1998 MAR 12; 102 (11): 1945-1953	3	11	8	63
4283	4283 Takahashi O, Watanabe M, Kikuchi O Structure of the T-1-state wave function of linear polyenes INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1998 MAR 15; 67 (2): 101-106	1	6	6	37
4284	4284 Miguel B, Cousy M, Malrieu JP Coupled cluster treatments of periodic systems from strongly localized reference functions: 1-D and 2-D spin and electron lattices INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1998 MAR 15; 67 (2): 115-132	0	3	4	52
4285	4285 Swiderek P, Gootz B, Winterling H Electron-energy-loss spectroscopy of solid phenylacetylene CHEMICAL PHYSICS LETTERS. 1998 MAR 20; 285 (3-4): 246-251	0	6	8	27
4286	4286 Freund T, Kubel C, Baumgarten M, Enkelmann V, Gherghel L, et al. Benzoyl-substituted tetrathia[1.1.1.1]metacyclophanes: High-yield synthesis, crystal structure, and redox properties EUROPEAN JOURNAL OF ORGANIC CHEMISTRY. 1998 APR; (4): 555-564	0	10	4	45
4287	4287 Schulte J, Bohm MC, Ramirez R The isotope effect in electronic expectation values: an all-quantum study of C6H6 and C6D6 MOLECULAR PHYSICS. 1998 APR 10; 93 (5): 801-807	0	11	5	32
4288	4288 Dubois C, Ait-Kadi A, Tanguy PA Chemorheology of polyurethane systems as predicted from Monte Carlo simulations of their evolutive molecular weight distribution JOURNAL OF RHEOLOGY. 1998 MAY-JUN; 42 (3): 435-452	0	8	2	35
4289	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
4290	4290 Linderberg J Dissociative recombination: an electronic correlation problem MOLECULAR PHYSICS. 1998 MAY; 94 (1): 99-104	0	1	6	60
#	Date / Author / Journal	LCS	GCS	LCR	CR
4291	4291 Utz W, Forner W Polarons and bipolarons in cis-polyacetylene PHYSICAL REVIEW B. 1998 MAY 1; 57 (17): 10512-10525	5	9	12	56
4292	4292 Pariser R Creativity at the crossroads between science and technology CHEMTECH. 1998 JUN; 28 (6): 48-54	1	1	7	34
4293	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
4294	4294 Atta AM, Abdel-Azim AAA Effect of crosslinker functionality on swelling and network parameters of copolymeric hydrogels POLYMERS FOR ADVANCED TECHNOLOGIES. 1998 JUN; 9 (6): 340-348	0	13	2	34
4295	4295 Peslherbe GH, Ladanyi BM, Hynes JT Trajectory study of photodissociation dynamics in the NaI(H2O) cluster system JOURNAL OF PHYSICAL CHEMISTRY A. 1998 JUN 4; 102 (23): 4100-4110	2	32	2	76
4296	4296 Castet F, Ducasse L, Fritsch A A valence-band Hartree-Fock method to determine the Hubbard transfer integrals in organic conductors CHEMICAL PHYSICS. 1998 JUN 15; 232 (1-2): 37-47	3	12	4	19
4297	4297 Ivashin N, Kallebring B, Larsson S, Hansson O Charge separation in photosynthetic reaction centers JOURNAL OF PHYSICAL CHEMISTRY B. 1998 JUN 18; 102 (25): 5017-5022	1	49	5	78
4298	4298 Stolarczyk LZ On the hierarchy of pi-electron models POLISH JOURNAL OF CHEMISTRY. 1998 JUL; 72 (7): 1691-1736	0	0	30	124
4299	4299 Lupan L Correlation of molecular properties of some acridine and thiazine dyes in micellar solution with their electronic structure REVUE ROUMAINE DE CHIMIE. 1998 JUL; 43 (7): 671-673	1	1	2	17
4300	4300 Flocke N, Schmalz TG, Klein DJ Variational resonance valence bond study on the ground state of C-60 using the Heisenberg model JOURNAL OF CHEMICAL PHYSICS. 1998 JUL 15; 109 (3): 873-880	5	20	1	38

Date / Author / Journal

LCS

GCS

LCR

1996

4201

4201 Hirao K, Nakano H, Nakayama K, Dupuis M

A complete active space valence bond (CASVB) method

JOURNAL OF CHEMICAL PHYSICS. 1996 NOV 22; 105 (20): 9227-9239

4202

4202 Reisch H, Wiesler U, Scherf U, Tuytuylkov N

Poly(indenofluorene) (PIF), a novel low band gap polyhydrocarbon

MACROMOLECULES. 1996 DEC 2; 29 (25): 8204-8210

4203

4203 Aaron JJ, Maafi M, Kersebet C, Parkanyi C, Antonious MS, et al.

A solvatochromic study of new benzo[a]phenothiazines for the determination of dipole moments and specific solute-solvent interactions in the first excited singlet state

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY. 1996 DEC 6; 101 (2-3): 127-136

4204

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

4205

4205 DiBella S, Fragala I, Marks TJ, Ratner MA

Large second-order optical nonlinearities in open-shell chromophores. Planar metal complexes and organic radical ion aggregates

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 1996 DEC 18; 118 (50): 12747-12751

4206

4206 Nalewajski RF, Michalak A

Charge sensitivity and bond-order analysis of reactivity trends in allyl-[MoO3] chemisorption systems: Two-reactant approach

JOURNAL OF PHYSICAL CHEMISTRY. 1996 DEC 19; 100 (51): 20076-20088

4207

4207 Cheng WD, Chen JT, Huang JS, Zhang QE

Electronic structures and optical properties of LiB3O5, Li2B4O7 and KBe2BO3F2

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS. 1996 DEC 21; 92 (24): 5073-5079

1997

4208

4208 Callis PR

Two-photon-induced fluorescence

ANNUAL REVIEW OF PHYSICAL CHEMISTRY. 1997; 48: 271-297

236

4209

4209 Gescheidt G, Barbosa F, Daub J, Bindl J

Application of quantum-chemical methods including density functional theory for the interpretation of isotropic hyperfine data. The example of azulenebenzoquinone

APPLIED MAGNETIC RESONANCE. 1997; 13 (3-4): 405-413

4210

4210 Bhattacharjee AK, Pundlik SS, Gadre SR

Conformational and electrostatic properties of naphthazarin, juglone, and naphthoquinone: An ab initio theoretical study

CANCER INVESTIGATION. 1997; 15 (6): 531-541

Date / Author / Journal

LCS

GCS

LCR

4211

4211 Mestechkin M, Whyman G, Klimko G

Nonlinear optical properties of alternant fullerene C-48.

FULLERENE SCIENCE AND TECHNOLOGY. 1997; 5 (1): 195-203

4212

4212 Chiang Y, Kresge AJ, Hellrung B, Schunemann P, Wirz J

Flash photolysis of 5-methyl-1,4-naphthoquinone in aqueous solution: Kinetics and mechanism of photoenolization and of enol trapping

HELVETICA CHIMICA ACTA. 1997; 80 (4): 1106-1121

4213

4213 Saito N, Ichijima S

A study on the hue of the novel acylacetanilide azomethine dye

INTERNATIONAL SYMPOSIUM ON SILVER HALIDE IMAGING: RECENT ADVANCES AND FUTURE OPPORTUNITIES IN SILVER HALIDE IMAGING. 1997; : 230-232

4214

4214 Kurisawa M, Terano M, Yui N

Double-stimuli-responsive degradation of hydrogels consisting of oligopeptide-terminated poly(ethylene glycol) and dextran with an interpenetrating polymer network

JOURNAL OF BIOMATERIALS SCIENCE-POLYMER EDITION. 1997; 8 (9): 691-708

4215

4215 Dong SJ, Liu BF, Liu JL, Kobayashi N

Cobalt Octaethyltetrapyrazinoporphyrazine: Spectroscopy, and Electrocatalytic and Kinetic Study of Dioxygen Reduction at a Glassy Carbon Electrode

JOURNAL OF PORPHYRINS AND PHTHALOCYANINES. 1997; 1 (4): 333-340

4216

4216 Baumgarten M, Zhang JP, Okada K, Tyutyulkov N

Intramolecular exchange interaction in xylylene type biradicals.

MOLECULAR CRYSTALS AND LIQUID CRYSTALS SCIENCE AND TECHNOLOGY SECTION A-MOLECULAR CRYSTALS AND LIQUID CRYSTALS. 1997; 305: 509-514

4217

4217 Avramenko GV, Anpenova EP, Bezuglaya ZV

Synthesis and study of ligands containing hydrazone groups - XIV. Structure and spectral characteristics of N-pyrazolylformazanes

ZHURNAL OBSHCHEI KHIMII. 1997; 67 (10): 1730-1736

4218

4218 Bredas JL

Electronic structure and optical properties of conducting and semiconducting conjugated oligomers and polymers: An overview of the quantum-mechanical approaches

SYNTHETIC METALS. 1997 JAN; 84 (1-3): 3-10

4219

4219 Jas GS, Kuczera K

Ab initio calculations of S-1 excited state vibrational spectra of benzene, naphthalene and anthracene

CHEMICAL PHYSICS. 1997 JAN 15; 214 (2-3): 229-241

4220

4220 Nalewajski RF

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

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

Date / Author / Journal

LCS

GCS

LCR

4221

4221 Kobayashi M, Yuan XH, Shinbo N, Watanabe M, Matsumoto M, et al.

A unified theory of uniaxially- and biaxially-stretched film methods: Three-dimensional reduced spectra of perylene

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 1997 FEB; 70 (2): 321-327

4222

4222 Fagerstrom J, Stafstrom S

Inter- and intrachain electron-hole recombination in polythiophene.

SYNTHETIC METALS. 1997 FEB 15; 85 (1-3): 1065-1068

4223

4223 Chakrabarti A, Mazumdar S

Essential excitations in phenylene-based conjugated polymers

SYNTHETIC METALS. 1997 FEB 15; 85 (1-3): 1121-1122

4224

4224 Wang SJ, Huang YH, Cong GM

Study on nitrile-butadiene rubber/poly(propylene carbonate) elastomer as coupling agent of poly(vinyl chloride)/poly(propylene carbonate) blends .1. Effect on mechanical properties of blends

JOURNAL OF APPLIED POLYMER SCIENCE. 1997 FEB 28; 63 (9): 1107-1111

4225

4225 Fagerstrom J, Stafstrom S

Geometrical and optical properties of fullerene polymers

SYNTHETIC METALS. 1997 FEB 28; 86 (1-3): 2393-2394

4226

4226 Sorek Y, Zevin M, Reisfeld R, Hurvits T, Ruschin S

Zirconia and zirconia-ORMOSIL planar waveguides prepared at room temperature

CHEMISTRY OF MATERIALS. 1997 MAR; 9 (3): 670-676

106

4227

4227 Mohammad M, Khan AY, Subhani MS, Yousaf M

MO calculations to interpret optical spectra of MV: and related species

JOURNAL OF THE CHEMICAL SOCIETY OF PAKISTAN. 1997 MAR; 19 (1): 1-7

4228

4228 Mizouchi H, Ikawa A, Fukutome H

Electronic structures of ions of m-phenylenebis(phenylmethylene) .1. UHF studies

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN. 1997 MAR; 66 (3): 881-891

4229

4229 Antonious MS

Solvent polarity indicators: Flexible styrylpyridinium and quinolinium fluorescence probes for medium free-volume

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. 1997 MAR; 53 (3): 317-324

4230

4230 Melrose MP

The delocalisation energy of benzene and the non-empirical MO theory

THEORETICA CHIMICA ACTA. 1997 MAR; 95 (3-4): 67-79

Date / Author / Journal

LCS

GCS

LCR

4231

4231 Tirosh B, Baluom M, Nassar T, Friedman M, Rubinstein A

The effect of Eudragit RL-100 on the mechanical and mucoadhesion properties of polycarbophil dosage forms

JOURNAL OF CONTROLLED RELEASE. 1997 MAR 3; 45 (1): 57-64

4232

4232 Peslherbe GH, Bianco R, Hynes JT, Ladanyi BM

On the photodissociation of alkali-metal halides in solution

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS. 1997 MAR 7; 93 (5): 977-988

4233

4233 doRego AMB, Vilar MR, daSilva JL

Mechanisms of vibrational and electronic excitations of polystyrene films in high resolution electron energy loss spectroscopy

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA. 1997 APR; 85 (1-2): 81-91

4234

4234 vanWalree CA, Franssen O, Marsman AW, Flipse MC, Jenneskens LW

Second-order nonlinear optical properties of stilbene, benzylideneaniline and azobenzene derivatives. The effect of pi-bridge nitrogen insertion on the first hyperpolarizability

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2. 1997 APR; (4): 799-807

4235

4235 Krasov AP, Mit VA, Fedorova LS, Komarova LI, Papkov VS, et al.

Cross-linked polyimides with pyromellitimide fragments between cross- links

VYSOKOMOLEKULYARNYE SOEDINENIYA SERIYA A & SERIYA B. 1997 APR; 39 (4): 600-605

4236

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

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

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

4237

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

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

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

4238

4238 Maus M, Rettig W

The electronic structure of 4-(N,N-dimethylamino)-4'-cyano-biphenyl and its planar and twisted model compounds

CHEMICAL PHYSICS. 1997 MAY 15; 218 (1-2): 151-162

4239

4239 Fortunelli A, Painelli A

On the ab initio evaluation of Hubbard parameters .1. The analytical approach in the absence of orbital relaxation

JOURNAL OF CHEMICAL PHYSICS. 1997 MAY 15; 106 (19): 8041-8050

4240

4240 Randic M

Resonance in catacondensed benzenoid hydrocarbons

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

Date / Author / Journal

LCS

GCS

LCR

4241

4241 Catani L, Gellini C, Salvi PR, Marconi G

The low-lying excited states of 1,6-methano[10] annulene

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY. 1997 MAY 30; 105 (2-3): 123-127

4242

4242 Karlsson HO, Bendazzoli GL, Goscinski O, Evangelisti S

Density of states of alternant cyclic polyenes (CH)(N) by a direct Lanczos method

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1997 JUN 5; 63 (3): 719-728

4243

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

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

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

114

4244

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

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

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

4245

4245 Fortunelli A, Painelli A

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

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

4246

4246 Tyutyulkov N, Dietz F, Mullen K, Baumgarten M

Structure and energy spectra of a two-dimensional dielectric carbon allotrope

CHEMICAL PHYSICS LETTERS. 1997 JUN 20; 272 (1-2): 111-114

4247

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

4248

4248 Tomonari M, Ookubo N, Takada T, Hirayama H

Hyperpolarizabilities of Si clusters: Model calculations to interpret second-harmonic generation from SiO2/Si(111) interface

CHEMICAL PHYSICS LETTERS. 1997 JUN 27; 272 (3-4): 199-208

4249

4249 Harcourt RD

Increased-valence structures and some valence bond representations for reaction mechanisms

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 1997 JUN 30; 398: 93-100

4250

4250 Germain A, Millie P

Localization of sigma molecular orbitals: Towards a better description of the electronic excited states of large conjugated molecules

CHEMICAL PHYSICS. 1997 JUL 1; 219 (2-3): 265-278

Date / Author / Journal

LCS

GCS

LCR

4251

4251 Bohm MC, Schutt J

Peculiarities in the quantum statistics of pi electron systems

PHYSICS LETTERS A. 1997 JUL 21; 232 (1-2): 106-114

4252

4252 Wiberg KB

Properties of some condensed aromatic systems

JOURNAL OF ORGANIC CHEMISTRY. 1997 AUG 22; 62 (17): 5720-5727

4253

4253 Matsunuma S

Theoretical simulation of resonance Raman bands of amorphous carbon

THIN SOLID FILMS. 1997 AUG 28; 306 (1): 17-22

4254

4254 Ramirez R, Schulte J, Bohm MC

All-quantum description of molecules: electrons and nuclei of C6H6

CHEMICAL PHYSICS LETTERS. 1997 AUG 29; 275 (3-4): 377-385

4255

4255 Senet P

Chemical hardnesses of atoms and molecules from frontier orbitals

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

4256

4256 Liu SB, DeProft F, Parr RG

Simplified models for hardness kernel and calculations of global hardness

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

4257

4257 Kachkovski AD, Kovalenko NM

Electronic properties of polymethine systems .4. Vinylene shift

DYES AND PIGMENTS. 1997 OCT; 35 (2): 131-148

4258

4258 Bohm MC, Schutt J

Quantum constraints in pi systems: The role of the Pauli antisymmetry principle for pi electronic properties

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES. 1997 OCT; 52 (10): 717-726

4259

4259 Nijegorodov N, Ramachandran V, Winkoun DP

The dependence of the absorption and fluorescence parameters, the intersystem crossing and internal conversion rate constants on the number of rings in polyacene molecules

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. 1997 OCT 1; 53 (11): 1813-1824

4260

4260 Valdemoro C, DeLaraCastells MP, Bochicchio R, PerezRomero E

Relevant space within the spin-adapted reduced Hamiltonian theory .2. Study of the pi cloud in benzene and naphthalene

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1997 OCT 15; 65 (2): 107-119

Date / Author / Journal

LCS

GCS

LCR

4261

4261 Nijegorodov N, Winkoun DP

Dependence of the fluorescence parameters and the intersystem crossing rate constant on the orbital nature of the s(1) state of catacondensed aromatics

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. 1997 OCT 15; 53 (12): 2013-2022

4262

4262 Forner W

Comparative application of different approaches for band structure calculations on polyparaphenylene in the Pariser-Parr-Pople model .1. The mean field (Hartree-Fock) approximation and localized Wannierfunctions

PHYSICA SCRIPTA. 1997 NOV; 56 (5): 490-505

109

4263

4263 Forner W

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

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

155

4264

4264 Beljonne D, Shuai Z, SerranoAndres L, Bredas JL

The dominant one- and two-photon excited states in the nonlinear optical response of octatetraene: ab initio versus semiempirical theoretical descriptions

CHEMICAL PHYSICS LETTERS. 1997 NOV 7; 279 (1-2): 1-8

4265

4265 Slawik M, Petelenz P

Theoretical interpretation of the electroabsorption spectra of polyacene crystals .1. Role of Frenkel states

JOURNAL OF CHEMICAL PHYSICS. 1997 NOV 8; 107 (18): 7114-7119

4266

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

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

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

4267

4267 Zhao H, Fu RT, Sun X, Zhang ZL

Off-diagonal interactions, bond density correlation, and their effects on the excitons in conjugated polymers

PHYSICAL REVIEW B. 1997 NOV 15; 56 (19): 12268-12276

4268

4268 Chandross M, Shimoi Y, Mazumdar S

Systematic characterization of excited states in pi-conjugated polymers

CHEMICAL PHYSICS LETTERS. 1997 NOV 28; 280 (1-2): 85-90

4269

4269 Spanget-Larsen J

The alternant hydrocarbon pairing theorem and all-valence electrons theory. An approximate LCOAO theory for the electronic absorption and MCD spectra of conjugated organic compounds, part 2

THEORETICAL CHEMISTRY ACCOUNTS. 1997 DEC; 98 (2-3): 137-153

179

4270

4270 Hirao K, Nakano H, Nakayama K

A complete active space valence bond method with nonorthogonal orbitals

JOURNAL OF CHEMICAL PHYSICS. 1997 DEC 15; 107 (23): 9966-9974

Date / Author / Journal

LCS

GCS

LCR

4271

4271 Gallagher FB, Mazumdar S

Excitons and optical absorption in one-dimensional extended Hubbard models with short- and long-range interactions

PHYSICAL REVIEW B. 1997 DEC 15; 56 (23): 15025-15039

4272

4272 Schutt J, Bohm MC

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

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

1998

4273

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

4274

4274 Cheng WD, Huang JS, Lu JX

Electronic structures and nonlinear optical coefficients of beta-BaB2O4

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

4275

4275 Martin CH, Birge RR

Reparametrizing MNDO for excited-state calculations by using ab initio effective Hamiltonian theory: Application to the 2,4-pentadien-1- iminium cation

JOURNAL OF PHYSICAL CHEMISTRY A. 1998 JAN 29; 102 (5): 852-860

4276

4276 Bhatt VD, Ray A

Synthesis, characterization and electrical conductivity of polyesters, polyamides and doped polymers

SYNTHETIC METALS. 1998 JAN 30; 92 (2): 115-120

4277

4277 Bohm MC, Ramirez R, Schulte J

Electrons and nuclei of C6H6 and C6D6; a combined Feynman path integral - ab initio approach

CHEMICAL PHYSICS. 1998 FEB 15; 227 (3): 271-300

4278

4278 Sauter-Fischer S, Runge E, Zimmermann R

Partial dephasing in interacting many-particle systems and current echo

PHYSICAL REVIEW B. 1998 FEB 15; 57 (8): 4299-4303

4279

4279 Athanasopoulos DC, Schmidt KE

An isotropic hopping model for singly charged Xe clusters

JOURNAL OF PHYSICAL CHEMISTRY A. 1998 FEB 26; 102 (9): 1615-1624

4280

4280 Matsuzaki Y, Tanaka K, Yamabe T

Influence of backbone conformation on the third-order optical nonlinearity in polyacetylene

CHEMICAL PHYSICS LETTERS. 1998 FEB 27; 284 (3-4): 261-266

Date / Author / Journal

LCS

GCS

LCR

4281

4281 Tyutyulkov N, Madjarova G, Dietz F, Karamantcheva I

Structure and energy spectra of non-alternant analogues of the di- and triphenylmethine radicals and their ions

DYES AND PIGMENTS. 1998 MAR; 36 (3): 205-213

4282

4282 Catani L, Gellini C, Salvi PR

Excited states of 1,6-methano[10]annulene: Site selection fluorescence and fluorescence excitation spectroscopy on S-1

JOURNAL OF PHYSICAL CHEMISTRY A. 1998 MAR 12; 102 (11): 1945-1953

4283

4283 Takahashi O, Watanabe M, Kikuchi O

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

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

4284

4284 Miguel B, Cousy M, Malrieu JP

Coupled cluster treatments of periodic systems from strongly localized reference functions: 1-D and 2-D spin and electron lattices

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 1998 MAR 15; 67 (2): 115-132

4285

4285 Swiderek P, Gootz B, Winterling H

Electron-energy-loss spectroscopy of solid phenylacetylene

CHEMICAL PHYSICS LETTERS. 1998 MAR 20; 285 (3-4): 246-251

4286

4286 Freund T, Kubel C, Baumgarten M, Enkelmann V, Gherghel L, et al.

Benzoyl-substituted tetrathia[1.1.1.1]metacyclophanes: High-yield synthesis, crystal structure, and redox properties

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY. 1998 APR; (4): 555-564

4287

4287 Schulte J, Bohm MC, Ramirez R

The isotope effect in electronic expectation values: an all-quantum study of C6H6 and C6D6

MOLECULAR PHYSICS. 1998 APR 10; 93 (5): 801-807

4288

4288 Dubois C, Ait-Kadi A, Tanguy PA

Chemorheology of polyurethane systems as predicted from Monte Carlo simulations of their evolutive molecular weight distribution

JOURNAL OF RHEOLOGY. 1998 MAY-JUN; 42 (3): 435-452

4289

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

4290

4290 Linderberg J

Dissociative recombination: an electronic correlation problem

MOLECULAR PHYSICS. 1998 MAY; 94 (1): 99-104

Date / Author / Journal

4291

Polarons and bipolarons in cis-polyacetylene

PHYSICAL REVIEW B. 1998 MAY 1; 57 (17): 10512-10525

4292

4292 Pariser R

Creativity at the crossroads between science and technology

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

4293

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

4294

4294 Atta AM, Abdel-Azim AAA

Effect of crosslinker functionality on swelling and network parameters of copolymeric hydrogels

POLYMERS FOR ADVANCED TECHNOLOGIES. 1998 JUN; 9 (6): 340-348

4295

4295 Peslherbe GH, Ladanyi BM, Hynes JT

Trajectory study of photodissociation dynamics in the NaI(H2O) cluster system

JOURNAL OF PHYSICAL CHEMISTRY A. 1998 JUN 4; 102 (23): 4100-4110

4296

4296 Castet F, Ducasse L, Fritsch A

A valence-band Hartree-Fock method to determine the Hubbard transfer integrals in organic conductors

CHEMICAL PHYSICS. 1998 JUN 15; 232 (1-2): 37-47

4297

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

Charge separation in photosynthetic reaction centers

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

4298

4298 Stolarczyk LZ

On the hierarchy of pi-electron models

POLISH JOURNAL OF CHEMISTRY. 1998 JUL; 72 (7): 1691-1736

124

4299

4299 Lupan L

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

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

4300

4300 Flocke N, Schmalz TG, Klein DJ

Variational resonance valence bond study on the ground state of C-60 using the Heisenberg model

JOURNAL OF CHEMICAL PHYSICS. 1998 JUL 15; 109 (3): 873-880

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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