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Results: 1-19 |
Results: 19
MODULATION OF CARBENIC REACTIVITY BY PI-COMPLEXATION TO AROMATICS
Authors: MOSS RA YAN SQ KROGHJESPERSEN K
Citation: Ra. Moss et al., MODULATION OF CARBENIC REACTIVITY BY PI-COMPLEXATION TO AROMATICS, Journal of the American Chemical Society, 120(5), 1998, pp. 1088-1089
THERMODYNAMICS OF ADDITION OF H-2, CO, N-2, AND C-H BONDS TO M((PPR3)-PR-I)(2)CL (M = IR, RH) - AN UNPRECEDENTED METAL-CARBONYL BOND STRENGTH
Authors: ROSINI GP LIU FC KROGHJESPERSEN K GOLDMAN AS LI CB NOLAN SP
Citation: Gp. Rosini et al., THERMODYNAMICS OF ADDITION OF H-2, CO, N-2, AND C-H BONDS TO M((PPR3)-PR-I)(2)CL (M = IR, RH) - AN UNPRECEDENTED METAL-CARBONYL BOND STRENGTH, Journal of the American Chemical Society, 120(36), 1998, pp. 9256-9266
THERMOCHEMICAL ALKANE DEHYDROGENATION CATALYZED IN SOLUTION WITHOUT THE USE OF A HYDROGEN ACCEPTOR
Authors: XU WW ROSINI GP GUPTA M JENSEN CM KASKA WC KROGHJESPERSEN K GOLDMAN AS
Citation: Ww. Xu et al., THERMOCHEMICAL ALKANE DEHYDROGENATION CATALYZED IN SOLUTION WITHOUT THE USE OF A HYDROGEN ACCEPTOR, Chemical communications, (23), 1997, pp. 2273-2274
PHOSPHATE CLEAVAGE BY ORGANOIODINANE OXYANION ANALOGS OF O-IODOSOBENZOATE - EXPERIMENTAL AND COMPUTATIONAL STUDIES
Authors: MOSS RA BOSE S KROGHJESPERSEN K
Citation: Ra. Moss et al., PHOSPHATE CLEAVAGE BY ORGANOIODINANE OXYANION ANALOGS OF O-IODOSOBENZOATE - EXPERIMENTAL AND COMPUTATIONAL STUDIES, Journal of physical organic chemistry, 10(1), 1997, pp. 27-32
THE 1 1 GLYCINE ZWITTERION-WATER COMPLEX - AN AB-INITIO ELECTRONIC-STRUCTURE STUDY/
Authors: DING YB KROGHJESPERSEN K
Citation: Yb. Ding et K. Kroghjespersen, THE 1 1 GLYCINE ZWITTERION-WATER COMPLEX - AN AB-INITIO ELECTRONIC-STRUCTURE STUDY/, Journal of computational chemistry, 17(3), 1996, pp. 338-349
REACTIONS AND REACTIVITY OF ACYLOXYCARBENES
Authors: MOSS RA XUE S LIU WG KROGHJESPERSEN K
Citation: Ra. Moss et al., REACTIONS AND REACTIVITY OF ACYLOXYCARBENES, Journal of the American Chemical Society, 118(50), 1996, pp. 12588-12597
WHY DO CATIONIC CARBON-MONOXIDE COMPLEXES HAVE HIGH C-O STRETCHING FORCE-CONSTANTS AND SHORT C-O BONDS - ELECTROSTATIC EFFECTS, NOT SIGMA-BONDING
Authors: GOLDMAN AS KROGHJESPERSEN K
Citation: As. Goldman et K. Kroghjespersen, WHY DO CATIONIC CARBON-MONOXIDE COMPLEXES HAVE HIGH C-O STRETCHING FORCE-CONSTANTS AND SHORT C-O BONDS - ELECTROSTATIC EFFECTS, NOT SIGMA-BONDING, Journal of the American Chemical Society, 118(48), 1996, pp. 12159-12166
EVALUATING POLARIZABLE POTENTIALS ON DISTRIBUTED-MEMORY PARALLEL COMPUTERS - PROGRAM-DEVELOPMENT AND APPLICATIONS
Authors: BERNARDO DN DING YB KROGHJESPERSEN K LEVY RM
Citation: Dn. Bernardo et al., EVALUATING POLARIZABLE POTENTIALS ON DISTRIBUTED-MEMORY PARALLEL COMPUTERS - PROGRAM-DEVELOPMENT AND APPLICATIONS, Journal of computational chemistry, 16(9), 1995, pp. 1141-1152
KINETICS OF THE REACTIONS OF PHENYLCHLOROCARBENE WITH ALKYL AZIDES
Authors: MOSS RA JANG EG KROGHJESPERSEN K
Citation: Ra. Moss et al., KINETICS OF THE REACTIONS OF PHENYLCHLOROCARBENE WITH ALKYL AZIDES, Tetrahedron letters, 36(9), 1995, pp. 1409-1412
SOLVATION FREE-ENERGIES OF SMALL AMIDES AND AMINES FROM MOLECULAR-DYNAMICS FREE-ENERGY PERTURBATION SIMULATIONS USING PAIRWISE ADDITIVE ANDMANY-BODY POLARIZABLE POTENTIALS
Authors: DING YB BERNARDO DN KROGHJESPERSEN K LEVY RM
Citation: Yb. Ding et al., SOLVATION FREE-ENERGIES OF SMALL AMIDES AND AMINES FROM MOLECULAR-DYNAMICS FREE-ENERGY PERTURBATION SIMULATIONS USING PAIRWISE ADDITIVE ANDMANY-BODY POLARIZABLE POTENTIALS, Journal of physical chemistry, 99(29), 1995, pp. 11575-11583
COMPUTATIONAL, SPECTROSCOPIC, AND CRYSTALLOGRAPHIC DETERMINATION OF THE MOLECULAR-STRUCTURES OF CO ADDUCTS OF VASKA-TYPE COMPLEXES TRANS-IRL2(CO)(2)X
Authors: ABUHASANAYN F EMGE TJ MAGUIRE JA KROGHJESPERSEN K GOLDMAN AS
Citation: F. Abuhasanayn et al., COMPUTATIONAL, SPECTROSCOPIC, AND CRYSTALLOGRAPHIC DETERMINATION OF THE MOLECULAR-STRUCTURES OF CO ADDUCTS OF VASKA-TYPE COMPLEXES TRANS-IRL2(CO)(2)X, Organometallics, 13(12), 1994, pp. 5177-5180
AN ANISOTROPIC POLARIZABLE WATER MODEL - INCORPORATION OF ALL-ATOM POLARIZABILITIES INTO MOLECULAR MECHANICS FORCE-FIELDS
Authors: BERNARDO DN DING YB KROGHJESPERSEN K LEVY RM
Citation: Dn. Bernardo et al., AN ANISOTROPIC POLARIZABLE WATER MODEL - INCORPORATION OF ALL-ATOM POLARIZABILITIES INTO MOLECULAR MECHANICS FORCE-FIELDS, Journal of physical chemistry, 98(15), 1994, pp. 4180-4187
AB-INITIO MOLECULAR-ORBITAL STUDY OF SUBSTITUENT EFFECTS IN VASKA TYPE COMPLEXES (TRANS-IRL(2)(CO)X) - ELECTRON-AFFINITIES, IONIZATION-POTENTIALS, CARBONYL STRETCH FREQUENCIES, AND THE THERMODYNAMICS OF H-2 DISSOCIATIVE ADDITION
Authors: ABUHASANAYN F GOLDMAN AS KROGHJESPERSEN K
Citation: F. Abuhasanayn et al., AB-INITIO MOLECULAR-ORBITAL STUDY OF SUBSTITUENT EFFECTS IN VASKA TYPE COMPLEXES (TRANS-IRL(2)(CO)X) - ELECTRON-AFFINITIES, IONIZATION-POTENTIALS, CARBONYL STRETCH FREQUENCIES, AND THE THERMODYNAMICS OF H-2 DISSOCIATIVE ADDITION, Inorganic chemistry, 33(22), 1994, pp. 5122-5130
AB-INITIO MOLECULAR-ORBITAL STUDY OF SUBSTITUENT EFFECTS IN VASKA TYPE COMPLEXES (TRANS-IRL(2)(CO)X) - ELECTRON-AFFINITIES, IONIZATION-POTENTIALS, CARBONYL STRETCH FREQUENCIES, AND THE THERMODYNAMICS OF H-2 DISSOCIATIVE ADDITION
Authors: ABUHASANAYN F GOLDMAN AS KROGHJESPERSEN K
Citation: F. Abuhasanayn et al., AB-INITIO MOLECULAR-ORBITAL STUDY OF SUBSTITUENT EFFECTS IN VASKA TYPE COMPLEXES (TRANS-IRL(2)(CO)X) - ELECTRON-AFFINITIES, IONIZATION-POTENTIALS, CARBONYL STRETCH FREQUENCIES, AND THE THERMODYNAMICS OF H-2 DISSOCIATIVE ADDITION, Inorganic chemistry, 33(22), 1994, pp. 5122-5130
CARBON-MONOXIDE ADDITION TO TRANSITION-METAL COMPLEXES - BENT METAL-CARBONYL TRANSITION-STATES
Authors: ABUHASANAYN F KROGHJESPERSEN K GOLDMAN AS
Citation: F. Abuhasanayn et al., CARBON-MONOXIDE ADDITION TO TRANSITION-METAL COMPLEXES - BENT METAL-CARBONYL TRANSITION-STATES, Journal of the American Chemical Society, 116(13), 1994, pp. 5979-5980
THE ALPHA-SECONDARY ISOTOPE EFFECT IN THE 1,2-SIMILAR-TO-C REARRANGEMENT OF CYCLOPROPYLCHLOROCARBENE
Authors: MOSS RA LIU WG KROGHJESPERSEN K
Citation: Ra. Moss et al., THE ALPHA-SECONDARY ISOTOPE EFFECT IN THE 1,2-SIMILAR-TO-C REARRANGEMENT OF CYCLOPROPYLCHLOROCARBENE, Tetrahedron letters, 34(38), 1993, pp. 6025-6028
KINETICS OF THE COMPETITIVE 1,2-CARBON MIGRATIONS OF AN UNSYMMETRICALLY SUBSTITUTED CYCLOPROPYLCHLOROCARBENE
Authors: MOSS RA LIU WG KROGHJESPERSEN K
Citation: Ra. Moss et al., KINETICS OF THE COMPETITIVE 1,2-CARBON MIGRATIONS OF AN UNSYMMETRICALLY SUBSTITUTED CYCLOPROPYLCHLOROCARBENE, Journal of physical chemistry, 97(50), 1993, pp. 13413-13418
COMPUTATIONAL STUDY OF THE TRANSITION-STATE FOR H2 ADDITION TO VASKA-TYPE COMPLEXES (TRANS-IR(L)2(CO)X) - SUBSTITUENT EFFECTS ON THE ENERGYBARRIER AND THE ORIGIN OF THE SMALL H2 D2 KINETIC ISOTOPE EFFECT/
Authors: ABUHASANAYN F GOLDMAN AS KROGHJESPERSEN K
Citation: F. Abuhasanayn et al., COMPUTATIONAL STUDY OF THE TRANSITION-STATE FOR H2 ADDITION TO VASKA-TYPE COMPLEXES (TRANS-IR(L)2(CO)X) - SUBSTITUENT EFFECTS ON THE ENERGYBARRIER AND THE ORIGIN OF THE SMALL H2 D2 KINETIC ISOTOPE EFFECT/, Journal of physical chemistry, 97(22), 1993, pp. 5890-5896
THEORETICAL-STUDY OF PRIMARY AND SECONDARY DEUTERIUM EQUILIBRIUM ISOTOPE EFFECTS FOR H-2 AND CH4 ADDITION TO TRANS-IR(PR3)2(CO)X
Authors: ABUHASANAYN F KROGHJESPERSEN K GOLDMAN AS
Citation: F. Abuhasanayn et al., THEORETICAL-STUDY OF PRIMARY AND SECONDARY DEUTERIUM EQUILIBRIUM ISOTOPE EFFECTS FOR H-2 AND CH4 ADDITION TO TRANS-IR(PR3)2(CO)X, Journal of the American Chemical Society, 115(18), 1993, pp. 8019-8023
Risultati: 1-19 |