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Results: 1-25 | 26-27
Results: 1-25/27
CONFORMATIONAL PREFERENCES OF 1,3-DIFERROCENYL-1,1,3,3-TETRAMETHYLDISILOXANE AND ITS COCRYSTAL WITH FERROCENE - A THEORETICAL AND CRYSTALLOGRAPHIC STUDY OF THE ROLE OF INTRAMOLECULAR AND INTERMOLECULAR INTERACTIONS
Authors: CERVANTESLEE F SHARMA HK PANNELL KH DERECSKEIKOVACS A MARYNICK DS
Citation: F. Cervanteslee et al., CONFORMATIONAL PREFERENCES OF 1,3-DIFERROCENYL-1,1,3,3-TETRAMETHYLDISILOXANE AND ITS COCRYSTAL WITH FERROCENE - A THEORETICAL AND CRYSTALLOGRAPHIC STUDY OF THE ROLE OF INTRAMOLECULAR AND INTERMOLECULAR INTERACTIONS, Organometallics, 17(17), 1998, pp. 3701-3706
ACCURATE MOLECULAR ELECTROSTATIC POTENTIALS BASED ON MODIFIED PRDDO MWAVE-FUNCTIONS - III - EXTENSION OF THE PESP METHOD FOR CALCULATION OF ELECTROSTATIC POTENTIAL-DERIVED ATOMIC CHARGES TO COMPOUNDS CONTAINING LI+, NA+, MG2+, K+, CA2+, ZN2+, AND I/
Authors: MARYNICK DS
Citation: Ds. Marynick, ACCURATE MOLECULAR ELECTROSTATIC POTENTIALS BASED ON MODIFIED PRDDO MWAVE-FUNCTIONS - III - EXTENSION OF THE PESP METHOD FOR CALCULATION OF ELECTROSTATIC POTENTIAL-DERIVED ATOMIC CHARGES TO COMPOUNDS CONTAINING LI+, NA+, MG2+, K+, CA2+, ZN2+, AND I/, Journal of computational chemistry, 19(13), 1998, pp. 1456-1469
ELECTRONIC-STRUCTURE OF THE COENZYME VITAMIN-B-12 AND RELATED SYSTEMSPART II - A CORRIN MODEL SYSTEM
Authors: HANSEN LM DERECSKEIKOVACS A MARYNICK DS
Citation: Lm. Hansen et al., ELECTRONIC-STRUCTURE OF THE COENZYME VITAMIN-B-12 AND RELATED SYSTEMSPART II - A CORRIN MODEL SYSTEM, Journal of molecular structure. Theochem, 431(1-2), 1998, pp. 53-57
THE APPLICATION OF DENSITY-FUNCTIONAL THEORY TO 4 PROBLEMS IN INORGANIC-CHEMISTRY - A COMPARISON TO TRADITIONAL AB-INITIO METHODS
Authors: MIRE LW WHEELER SD WAGENSELLER E MARYNICK DS
Citation: Lw. Mire et al., THE APPLICATION OF DENSITY-FUNCTIONAL THEORY TO 4 PROBLEMS IN INORGANIC-CHEMISTRY - A COMPARISON TO TRADITIONAL AB-INITIO METHODS, Inorganic chemistry, 37(12), 1998, pp. 3099-3106
ACCURATE MOLECULAR ELECTROSTATIC POTENTIALS BASED ON MODIFIED PRDDO MWAVE-FUNCTIONS .1. ELECTROSTATIC POTENTIAL DERIVED ATOMIC CHARGES/
Authors: MARYNICK DS
Citation: Ds. Marynick, ACCURATE MOLECULAR ELECTROSTATIC POTENTIALS BASED ON MODIFIED PRDDO MWAVE-FUNCTIONS .1. ELECTROSTATIC POTENTIAL DERIVED ATOMIC CHARGES/, Journal of computational chemistry, 18(7), 1997, pp. 955-969
ACCURATE MOLECULAR ELECTROSTATIC POTENTIALS BASED ON MODIFIED PRDDO MWAVE-FUNCTIONS .2. ELECTROSTATIC POTENTIALS INSIDE THE MOLECULAR VAN-DER-WAALS ENVELOPE/
Authors: MARYNICK DS
Citation: Ds. Marynick, ACCURATE MOLECULAR ELECTROSTATIC POTENTIALS BASED ON MODIFIED PRDDO MWAVE-FUNCTIONS .2. ELECTROSTATIC POTENTIALS INSIDE THE MOLECULAR VAN-DER-WAALS ENVELOPE/, Journal of computational chemistry, 18(13), 1997, pp. 1682-1693
NOBLE-GAS-RELATED DEFECTS IN SI AND THE ORIGIN OF THE 1018 MEV PHOTOLUMINESCENCE LINE
Authors: ESTREICHER SK WEBER J DERECSKEIKOVACS A MARYNICK DS
Citation: Sk. Estreicher et al., NOBLE-GAS-RELATED DEFECTS IN SI AND THE ORIGIN OF THE 1018 MEV PHOTOLUMINESCENCE LINE, Physical review. B, Condensed matter, 55(8), 1997, pp. 5037-5044
NONEMPIRICAL WAVE-FUNCTIONS FOR VERY LARGE MOLECULES .3. EXTENSION OFTHE PRDDO M AND PRDDO/M/FCP METHOD TO MAIN-ROW ELEMENTS GA-BR/
Authors: DERECSKEIKOVACS A MARYNICK DS
Citation: A. Derecskeikovacs et Ds. Marynick, NONEMPIRICAL WAVE-FUNCTIONS FOR VERY LARGE MOLECULES .3. EXTENSION OFTHE PRDDO M AND PRDDO/M/FCP METHOD TO MAIN-ROW ELEMENTS GA-BR/, International journal of quantum chemistry, 63(6), 1997, pp. 1091-1097
NONEMPIRICAL WAVE-FUNCTIONS FOR VERY LARGE MOLECULES .2. THE PRDDO M/FCP METHOD/
Authors: DERECSKEIKOVACS A WOON DE MARYNICK DS
Citation: A. Derecskeikovacs et al., NONEMPIRICAL WAVE-FUNCTIONS FOR VERY LARGE MOLECULES .2. THE PRDDO M/FCP METHOD/, International journal of quantum chemistry, 61(1), 1997, pp. 67-76
C3LI4 REVISITED - A THEORETICAL-STUDY
Authors: MARYNICK DS HAWKINS C
Citation: Ds. Marynick et C. Hawkins, C3LI4 REVISITED - A THEORETICAL-STUDY, Organometallics, 15(2), 1996, pp. 882-883
INVESTIGATION OF THE ELECTRONIC AND GEOMETRIC EFFECTS OF TRIFLUOROMETHYL SUBSTITUENTS ON TRIS(PYRAZOLYL)BORATE LIGANDS USING MANGANESE(I) AND COPPER(I) COMPLEXES
Authors: DIAS HVR KIM HJ LU HL RAJESHWAR K DETACCONI NR DERECSKEIKOVACS A MARYNICK DS
Citation: Hvr. Dias et al., INVESTIGATION OF THE ELECTRONIC AND GEOMETRIC EFFECTS OF TRIFLUOROMETHYL SUBSTITUENTS ON TRIS(PYRAZOLYL)BORATE LIGANDS USING MANGANESE(I) AND COPPER(I) COMPLEXES, Organometallics, 15(13), 1996, pp. 2994-3003
NONEMPIRICAL WAVE-FUNCTIONS FOR VERY LARGE MOLECULES .1. THE PRDDO M METHOD/
Authors: DERECSKEIKOVACS A MARYNICK DS
Citation: A. Derecskeikovacs et Ds. Marynick, NONEMPIRICAL WAVE-FUNCTIONS FOR VERY LARGE MOLECULES .1. THE PRDDO M METHOD/, International journal of quantum chemistry, 58(2), 1996, pp. 193-202
EFFECTS OF BRIDGING GROUPS ON ELECTRONIC-STRUCTURES OF CONJUGATED CYCLIC POLYMERS
Authors: HONG SY KWON SJ KIM SC MARYNICK DS
Citation: Sy. Hong et al., EFFECTS OF BRIDGING GROUPS ON ELECTRONIC-STRUCTURES OF CONJUGATED CYCLIC POLYMERS, Synthetic metals, 69(1-3), 1995, pp. 701-702
POTENTIALLY STABLE CARBENES - A THEORETICAL-STUDY OF PYRAZOL-YLIDENES
Authors: WALL LL DIAS HVR MARYNICK DS
Citation: Ll. Wall et al., POTENTIALLY STABLE CARBENES - A THEORETICAL-STUDY OF PYRAZOL-YLIDENES, Journal of molecular structure. Theochem, 342, 1995, pp. 115-120
CONFORMATIONS AND ELECTRONIC-STRUCTURES OF NEW CONJUGATED POLYMERS BASED ON POLY(CYCLOPENTADIENYLENE) AND POLYSILOLE
Authors: HONG SY MARYNICK DS
Citation: Sy. Hong et Ds. Marynick, CONFORMATIONS AND ELECTRONIC-STRUCTURES OF NEW CONJUGATED POLYMERS BASED ON POLY(CYCLOPENTADIENYLENE) AND POLYSILOLE, Macromolecules, 28(14), 1995, pp. 4991-4995
SYNTHESIS AND STUDY OF A SULFUR HETEROCYCLE FUSED P-PHENYLENE VINYLENE CONDUCTING POLYMER
Authors: POMERANTZ M WANG JP SEONG S STARKEY KP NGUYEN L MARYNICK DS
Citation: M. Pomerantz et al., SYNTHESIS AND STUDY OF A SULFUR HETEROCYCLE FUSED P-PHENYLENE VINYLENE CONDUCTING POLYMER, Phosphorus, sulfur and silicon and the related elements, 95-6(1-4), 1994, pp. 507-508
ATTACHMENT OF 2 ELECTRONS TO C60F48 - COULOMB BARRIERS IN DOUBLY-CHARGED ANIONS
Authors: HETTICH RL COMPTON RN TUINMAN A DERECSKEIKOVACS A MARYNICK DS DUNLAP BI
Citation: Rl. Hettich et al., ATTACHMENT OF 2 ELECTRONS TO C60F48 - COULOMB BARRIERS IN DOUBLY-CHARGED ANIONS, Physical review letters, 73(21), 1994, pp. 2821-2824
LY(BENZO[1,2-B4,5-B']DITHIOPHENE-4,8-DIYLVINYLENE) - SYNTHESIS, PROPERTIES, AND ELECTRONIC-STRUCTURE OF A NEW DITHIOPHENE-FUSED P-PHENYLENEVINYLENE CONDUCTING POLYMER
Authors: POMERANTZ M WANG JP SEONG S STARKEY KP NGUYEN L MARYNICK DS
Citation: M. Pomerantz et al., LY(BENZO[1,2-B4,5-B']DITHIOPHENE-4,8-DIYLVINYLENE) - SYNTHESIS, PROPERTIES, AND ELECTRONIC-STRUCTURE OF A NEW DITHIOPHENE-FUSED P-PHENYLENEVINYLENE CONDUCTING POLYMER, Macromolecules, 27(25), 1994, pp. 7478-7485
CONFORMATIONAL-ANALYSIS OF TETRATHIAFULVALENE ISOMERS AND THE BAND-STRUCTURE OF THEIR ONE-DIMENSIONAL POLYMERS
Authors: SEONG S MARYNICK DS
Citation: S. Seong et Ds. Marynick, CONFORMATIONAL-ANALYSIS OF TETRATHIAFULVALENE ISOMERS AND THE BAND-STRUCTURE OF THEIR ONE-DIMENSIONAL POLYMERS, Journal of physical chemistry, 98(50), 1994, pp. 13334-13338
ELECTRONIC-STRUCTURE OF THE COENZYME VITAMIN-B(12) AND RELATED SYSTEMS .1. CO(DH)2(L)(R) COMPOUNDS (DH = DIMETHYLGLYOXIME, L = NH3, PY, 2-NH2PY, 5,6-DIMETHYLBENZIMIDAZOLE, R=CH3, I-C3H7, 5'-DEOXYADENOSYL) AS MODEL SYSTEMS FOR THE VITAMIN-B(12) COENZYME
Authors: HANSEN LM KUMAR PNVP MARYNICK DS
Citation: Lm. Hansen et al., ELECTRONIC-STRUCTURE OF THE COENZYME VITAMIN-B(12) AND RELATED SYSTEMS .1. CO(DH)2(L)(R) COMPOUNDS (DH = DIMETHYLGLYOXIME, L = NH3, PY, 2-NH2PY, 5,6-DIMETHYLBENZIMIDAZOLE, R=CH3, I-C3H7, 5'-DEOXYADENOSYL) AS MODEL SYSTEMS FOR THE VITAMIN-B(12) COENZYME, Inorganic chemistry, 33(4), 1994, pp. 728-735
QUANTUM-CHEMICAL STUDIES OF BORON FULLERENE ANALOGS
Authors: DERECSKEIKOVACS A DUNLAP BI LIPSCOMB WN LOWREY A MARYNICK DS MASSA L
Citation: A. Derecskeikovacs et al., QUANTUM-CHEMICAL STUDIES OF BORON FULLERENE ANALOGS, Inorganic chemistry, 33(25), 1994, pp. 5617-5619
CONFORMATIONAL FLEXIBILITY IN C(2)X(4)-BRIDGED BIMETALLIC COMPLEXES
Authors: ROGERS JR JOHNSON CK MARYNICK DS
Citation: Jr. Rogers et al., CONFORMATIONAL FLEXIBILITY IN C(2)X(4)-BRIDGED BIMETALLIC COMPLEXES, Inorganic chemistry, 33(20), 1994, pp. 4566-4572
METAL-ASSISTED PYRAMIDAL INVERSION IN METAL PHOSPHIDO COMPLEXES
Authors: ROGERS JR WAGNER TPS MARYNICK DS
Citation: Jr. Rogers et al., METAL-ASSISTED PYRAMIDAL INVERSION IN METAL PHOSPHIDO COMPLEXES, Inorganic chemistry, 33(14), 1994, pp. 3104-3110
THE PERFORMANCE OF A VARIETY OF DENSITY-FUNCTIONAL AND AB-INITIO METHODS ON THE STRUCTURAL PROBLEM OF BERYLLIUM BOROHYDRIDE
Authors: DERECSKEIKOVACS A MARYNICK DS
Citation: A. Derecskeikovacs et Ds. Marynick, THE PERFORMANCE OF A VARIETY OF DENSITY-FUNCTIONAL AND AB-INITIO METHODS ON THE STRUCTURAL PROBLEM OF BERYLLIUM BOROHYDRIDE, Chemical physics letters, 228(1-3), 1994, pp. 252-258
SUBSTITUENT EFFECTS ON THE ELECTRICAL-CONDUCTIVITY AND ELECTROCHEMICAL PROPERTIES OF CONJUGATED FURANYL PHENYLENE POLYMERS
Authors: REYNOLDS JR CHILD AD RUIZ JP HONG SY MARYNICK DS
Citation: Jr. Reynolds et al., SUBSTITUENT EFFECTS ON THE ELECTRICAL-CONDUCTIVITY AND ELECTROCHEMICAL PROPERTIES OF CONJUGATED FURANYL PHENYLENE POLYMERS, Macromolecules, 26(8), 1993, pp. 2095-2103
Risultati: 1-25 | 26-27