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Results: 1-20 |
Results: 20
ELECTROSTATIC INTERACTIONS BASED UPON FLOATING BASIS AB-INITIO CALCULATIONS - THE WATER PENTAMER
Authors: DANNENBERG JJ SIMON S DURAN M
Citation: Jj. Dannenberg et al., ELECTROSTATIC INTERACTIONS BASED UPON FLOATING BASIS AB-INITIO CALCULATIONS - THE WATER PENTAMER, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(8), 1997, pp. 1549-1554
HYDROGEN-BONDS - A COMPARISON OF SEMIEMPIRICAL AND AB-INITIO TREATMENTS
Authors: DANNENBERG JJ
Citation: Jj. Dannenberg, HYDROGEN-BONDS - A COMPARISON OF SEMIEMPIRICAL AND AB-INITIO TREATMENTS, Journal of molecular structure. Theochem, 401(3), 1997, pp. 279-286
A THEORETICAL-STUDY OF THE ENDO EXO SELECTIVITY OF THE DIELS-ALDER REACTION BETWEEN CYCLOPROPENE AND BUTADIENE/
Authors: SODUPE M RIOS R BRANCHADELL V NICHOLAS T OLIVA A DANNENBERG JJ
Citation: M. Sodupe et al., A THEORETICAL-STUDY OF THE ENDO EXO SELECTIVITY OF THE DIELS-ALDER REACTION BETWEEN CYCLOPROPENE AND BUTADIENE/, Journal of the American Chemical Society, 119(18), 1997, pp. 4232-4238
PROXIMITY EFFECTS ON NUCLEAR SPIN-SPIN COUPLING-CONSTANTS .2. THE ELECTRIC-FIELD EFFECT ON (1)J(CH) COUPLINGS
Authors: GIRIBET CG VIZIOLI CV DEAZUA MCR CONTRERAS RH DANNENBERG JJ MASUNOV A
Citation: Cg. Giribet et al., PROXIMITY EFFECTS ON NUCLEAR SPIN-SPIN COUPLING-CONSTANTS .2. THE ELECTRIC-FIELD EFFECT ON (1)J(CH) COUPLINGS, Journal of the Chemical Society. Faraday transactions, 92(17), 1996, pp. 3029-3033
A THEORETICAL INVESTIGATION OF THE C-H-CENTER-DOT-CENTER-DOT-CENTER-DOT-O INTERACTION BETWEEN SUBSTITUTED PHENYLACETYLENES AND WATER
Authors: MASUNOV A DANNENBERG JJ
Citation: A. Masunov et Jj. Dannenberg, A THEORETICAL INVESTIGATION OF THE C-H-CENTER-DOT-CENTER-DOT-CENTER-DOT-O INTERACTION BETWEEN SUBSTITUTED PHENYLACETYLENES AND WATER, Journal of molecular structure. Theochem, 371, 1996, pp. 17-19
HOW DOES BASIS-SET SUPERPOSITION ERROR CHANGE THE POTENTIAL SURFACES FOR HYDROGEN-BONDED DIMERS
Authors: SIMON S DURAN M DANNENBERG JJ
Citation: S. Simon et al., HOW DOES BASIS-SET SUPERPOSITION ERROR CHANGE THE POTENTIAL SURFACES FOR HYDROGEN-BONDED DIMERS, The Journal of chemical physics, 105(24), 1996, pp. 11024-11031
MOLECULAR-ORBITAL STUDIES OF THE NITROMETHANE-AMMONIA COMPLEX - AN UNUSUALLY STRONG C-H-CENTER-DOT-CENTER-DOT-CENTER-DOT-N HYDROGEN-BOND
Authors: TURI L DANNENBERG JJ
Citation: L. Turi et Jj. Dannenberg, MOLECULAR-ORBITAL STUDIES OF THE NITROMETHANE-AMMONIA COMPLEX - AN UNUSUALLY STRONG C-H-CENTER-DOT-CENTER-DOT-CENTER-DOT-N HYDROGEN-BOND, Journal of physical chemistry, 99(2), 1995, pp. 639-641
GAS-PHASE STRUCTURE AND ACIDITY OF FORMOHYDROXAMIC ACID AND FORMAMIDE- A COMPARATIVE AB-INITIO STUDY
Authors: VENTURA ON RAMA JB TURI L DANNENBERG JJ
Citation: On. Ventura et al., GAS-PHASE STRUCTURE AND ACIDITY OF FORMOHYDROXAMIC ACID AND FORMAMIDE- A COMPARATIVE AB-INITIO STUDY, Journal of physical chemistry, 99(1), 1995, pp. 131-136
MOLECULAR-ORBITAL STUDY OF CRYSTALLINE 1,3-CYCLOHEXANEDIONE .2. AGGREGATES IN 2 AND 3 DIMENSIONS
Authors: TURI L DANNENBERG JJ
Citation: L. Turi et Jj. Dannenberg, MOLECULAR-ORBITAL STUDY OF CRYSTALLINE 1,3-CYCLOHEXANEDIONE .2. AGGREGATES IN 2 AND 3 DIMENSIONS, Chemistry of materials, 6(8), 1994, pp. 1313-1316
PROXIMITY EFFECTS ON NUCLEAR SPIN-SPIN COUPLING-CONSTANTS .1. (1)J(CH) COUPLINGS IN THE VICINITY OF AN ATOM BEARING LONE PAIRS
Authors: VIZIOLI C DEAZUA MCR GIRIBET CG CONTRERAS RH TURI L DANNENBERG JJ RAE ID WEIGOLD JA MALAGOLI M ZANASI R LAZZERETTI P
Citation: C. Vizioli et al., PROXIMITY EFFECTS ON NUCLEAR SPIN-SPIN COUPLING-CONSTANTS .1. (1)J(CH) COUPLINGS IN THE VICINITY OF AN ATOM BEARING LONE PAIRS, Journal of physical chemistry, 98(36), 1994, pp. 8858-8861
THEORETICAL-STUDY OF THE ENOLIC FORMS OF ACETYLACETONE - HOW STRONG IS THE H-BOND
Authors: DANNENBERG JJ RIOS R
Citation: Jj. Dannenberg et R. Rios, THEORETICAL-STUDY OF THE ENOLIC FORMS OF ACETYLACETONE - HOW STRONG IS THE H-BOND, Journal of physical chemistry, 98(27), 1994, pp. 6714-6718
MOLECULAR-ORBITAL STUDY OF CRYSTALLINE ACETIC-ACID .2. AGGREGATES IN ONE-DIMENSION, 2-DIMENSIONS, AND 3-DIMENSIONS
Authors: TURI L DANNENBERG JJ
Citation: L. Turi et Jj. Dannenberg, MOLECULAR-ORBITAL STUDY OF CRYSTALLINE ACETIC-ACID .2. AGGREGATES IN ONE-DIMENSION, 2-DIMENSIONS, AND 3-DIMENSIONS, Journal of the American Chemical Society, 116(19), 1994, pp. 8714-8721
AM1 AND POLARIZED-PI FRONTIER MOLECULAR-ORBITAL (PPFMO) STUDIES OF FACIAL SELECTIVITY IN HYDROGEN-TRANSFER TO SUBSTITUTED ADAMANTYL RADICALS
Authors: HUANG XL HUANG XL DANNENBERG JJ
Citation: Xl. Huang et al., AM1 AND POLARIZED-PI FRONTIER MOLECULAR-ORBITAL (PPFMO) STUDIES OF FACIAL SELECTIVITY IN HYDROGEN-TRANSFER TO SUBSTITUTED ADAMANTYL RADICALS, Journal of physical organic chemistry, 6(12), 1993, pp. 690-695
THEORETICAL-STUDY OF THE REGIOSELECTIVITY IN THE DIELS-ALDER REACTIONS OF PROTOANEMONIN WITH SUBSTITUTED DIENES
Authors: ORTI J BRANCHADELL V ORTUNO RM OLIVA A FONT J BERTRAN J DANNENBERG JJ
Citation: J. Orti et al., THEORETICAL-STUDY OF THE REGIOSELECTIVITY IN THE DIELS-ALDER REACTIONS OF PROTOANEMONIN WITH SUBSTITUTED DIENES, Journal of molecular structure. Theochem, 103(1-2), 1993, pp. 37-41
MOLECULAR-ORBITAL STUDY OF ACETIC-ACID AGGREGATION .1. MONOMERS AND DIMERS
Authors: TURI L DANNENBERG JJ
Citation: L. Turi et Jj. Dannenberg, MOLECULAR-ORBITAL STUDY OF ACETIC-ACID AGGREGATION .1. MONOMERS AND DIMERS, Journal of physical chemistry, 97(47), 1993, pp. 12197-12204
MOLECULAR-ORBITAL STUDIES OF C-H...O H-BONDED COMPLEXES
Authors: TURI L DANNENBERG JJ
Citation: L. Turi et Jj. Dannenberg, MOLECULAR-ORBITAL STUDIES OF C-H...O H-BONDED COMPLEXES, Journal of physical chemistry, 97(30), 1993, pp. 7899-7909
POLARIZED-PI FRONTIER MOLECULAR-ORBITAL (PPFMO) AND EXPERIMENTAL STUDIES OF FACIAL SELECTIVITY IN ELECTROPHILIC ATTACKS ON SUBSTITUTED ALKENES
Authors: FRANCK RW KAILA N BLUMENSTEIN M GEER A HUANG XL DANNENBERG JJ
Citation: Rw. Franck et al., POLARIZED-PI FRONTIER MOLECULAR-ORBITAL (PPFMO) AND EXPERIMENTAL STUDIES OF FACIAL SELECTIVITY IN ELECTROPHILIC ATTACKS ON SUBSTITUTED ALKENES, Journal of organic chemistry, 58(20), 1993, pp. 5335-5337
COMPARISON OF THE POLARIZED PI-FRONTIER MOLECULAR-ORBITAL METHOD WITHOTHER THEORETICAL ANALYSES AND EXPERIMENTAL-DATA
Authors: HUANG XL DANNENBERG JJ
Citation: Xl. Huang et Jj. Dannenberg, COMPARISON OF THE POLARIZED PI-FRONTIER MOLECULAR-ORBITAL METHOD WITHOTHER THEORETICAL ANALYSES AND EXPERIMENTAL-DATA, Journal of the American Chemical Society, 115(14), 1993, pp. 6017-6024
ACIDITY OF HYDROXAMIC ACIDS - AN AB-INITIO AND SEMIEMPIRICAL STUDY
Authors: VENTURA ON RAMA JB TURI L DANNENBERG JJ
Citation: On. Ventura et al., ACIDITY OF HYDROXAMIC ACIDS - AN AB-INITIO AND SEMIEMPIRICAL STUDY, Journal of the American Chemical Society, 115(13), 1993, pp. 5754-5761
POLARIZED PI-FRONTIER MOLECULAR-ORBITALS - A METHOD FOR PREDICTING DIASTEREOFACIAL SELECTIVITIES
Authors: HUANG XL DANNENBERG JJ DURAN M BERTRAN J
Citation: Xl. Huang et al., POLARIZED PI-FRONTIER MOLECULAR-ORBITALS - A METHOD FOR PREDICTING DIASTEREOFACIAL SELECTIVITIES, Journal of the American Chemical Society, 115(10), 1993, pp. 4024-4030
Risultati: 1-20 |