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Results: 1-25 | 26-35
Results: 1-25/35
AB-INITIO CALCULATIONS OF INTERMOLECULAR INTERACTION POTENTIALS OF CORANNULENE DIMER
Authors: TSUZUKI S UCHIMARU T TANABE K
Citation: S. Tsuzuki et al., AB-INITIO CALCULATIONS OF INTERMOLECULAR INTERACTION POTENTIALS OF CORANNULENE DIMER, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(4), 1998, pp. 740-743
MECHANISM OF ADDITION OF FLUOROMETHYL RADICALS TO FLUOROETHYLENES
Authors: KORCHOWIEC J UCHIMARU T
Citation: J. Korchowiec et T. Uchimaru, MECHANISM OF ADDITION OF FLUOROMETHYL RADICALS TO FLUOROETHYLENES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(33), 1998, pp. 6682-6689
DENSITY-FUNCTIONAL STUDY OF ADDITION OF FLUOROMETHYL RADICALS TO FLUOROETHYLENES - ESTIMATION OF ACTIVATION-ENERGIES
Authors: KORCHOWIEC J UCHIMARU T
Citation: J. Korchowiec et T. Uchimaru, DENSITY-FUNCTIONAL STUDY OF ADDITION OF FLUOROMETHYL RADICALS TO FLUOROETHYLENES - ESTIMATION OF ACTIVATION-ENERGIES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(14), 1998, pp. 2439-2442
NEW MEDIUM-SIZE BASIS-SETS TO EVALUATE THE DISPERSION INTERACTION OF HYDROCARBON MOLECULES
Authors: TSUZUKI S UCHIMARU T MIKAMI M TANABE K
Citation: S. Tsuzuki et al., NEW MEDIUM-SIZE BASIS-SETS TO EVALUATE THE DISPERSION INTERACTION OF HYDROCARBON MOLECULES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(12), 1998, pp. 2091-2094
ORTHO-VINYLATION REACTION OF PHENOLS WITH ETHYNE
Authors: YAMAGUCHI M ARISAWA M OMATA K KABUTO K HIRAMA M UCHIMARU T
Citation: M. Yamaguchi et al., ORTHO-VINYLATION REACTION OF PHENOLS WITH ETHYNE, Journal of organic chemistry, 63(21), 1998, pp. 7298-7305
INTERMOLECULAR INTERACTION POTENTIAL OF THE CARBON-DIOXIDE DIMER
Authors: TSUZUKI S UCHIMARU T MIKAMI M TANABE K
Citation: S. Tsuzuki et al., INTERMOLECULAR INTERACTION POTENTIAL OF THE CARBON-DIOXIDE DIMER, The Journal of chemical physics, 109(6), 1998, pp. 2169-2175
A NEW AB-INITIO BASED MODEL POTENTIAL FOR METHANE
Authors: TSUZUKI S UCHIMARU T TANABE K
Citation: S. Tsuzuki et al., A NEW AB-INITIO BASED MODEL POTENTIAL FOR METHANE, Chemical physics letters, 287(3-4), 1998, pp. 327-332
INTERMOLECULAR INTERACTION POTENTIALS OF METHANE AND ETHYLENE DIMERS CALCULATED WITH THE MOLLER-PLESSET, COUPLED-CLUSTER AND DENSITY-FUNCTIONAL METHODS
Authors: TSUZUKI S UCHIMARU T TANABE K
Citation: S. Tsuzuki et al., INTERMOLECULAR INTERACTION POTENTIALS OF METHANE AND ETHYLENE DIMERS CALCULATED WITH THE MOLLER-PLESSET, COUPLED-CLUSTER AND DENSITY-FUNCTIONAL METHODS, Chemical physics letters, 287(1-2), 1998, pp. 202-208
MECHANISM OF THE CHEMOSELECTIVE AND STEREOSELECTIVE RING-OPENING OF OXATHIAPHOSPHOLANES - AN AB-INITIO STUDY
Authors: UCHIMARU T STEC WJ TAIRA K
Citation: T. Uchimaru et al., MECHANISM OF THE CHEMOSELECTIVE AND STEREOSELECTIVE RING-OPENING OF OXATHIAPHOSPHOLANES - AN AB-INITIO STUDY, Journal of organic chemistry, 62(17), 1997, pp. 5793-5800
NEW KEMP DIACID DERIVATIVES GIVE EFFICIENT TRANSPORT AND MODIFIABLE SELECTIVITY FOR ALKALINE-EARTH AND TRANSITION-METAL IONS
Authors: BALDWIN BW HIROSE T WANG ZH UCHIMARU T YLINIEMELA A
Citation: Bw. Baldwin et al., NEW KEMP DIACID DERIVATIVES GIVE EFFICIENT TRANSPORT AND MODIFIABLE SELECTIVITY FOR ALKALINE-EARTH AND TRANSITION-METAL IONS, Bulletin of the Chemical Society of Japan, 70(8), 1997, pp. 1895-1903
ACYLOXYL RADICAL PAIR INTERMEDIATE FOR THE INITIAL-STAGE OF THE THERMAL-DECOMPOSITION OF DIACYL PEROXIDE - A DENSITY-FUNCTIONAL STUDY
Authors: UCHIMARU T HARA R TANABE K FUJIMORI K
Citation: T. Uchimaru et al., ACYLOXYL RADICAL PAIR INTERMEDIATE FOR THE INITIAL-STAGE OF THE THERMAL-DECOMPOSITION OF DIACYL PEROXIDE - A DENSITY-FUNCTIONAL STUDY, Chemical physics letters, 267(3-4), 1997, pp. 244-250
NEW BORANOPHOSPHORYLATION REAGENTS, DIMETHYL BORANOPHOSPHATE MONOPOTASSIUM SALT AND TETRAMETHYL BORANOPYROPHOSPHATE
Authors: IMAMOTO T NAGATO E WADA Y MASUDA H YAMAGUCHI K UCHIMARU T
Citation: T. Imamoto et al., NEW BORANOPHOSPHORYLATION REAGENTS, DIMETHYL BORANOPHOSPHATE MONOPOTASSIUM SALT AND TETRAMETHYL BORANOPYROPHOSPHATE, Journal of the American Chemical Society, 119(41), 1997, pp. 9925-9926
VERSATILITY OF KEMPS ACID IMIDES AS HEAVY-METAL ION CARRIERS
Authors: HIROSE T BALDWIN BW WANG ZH KASUGA K UCHIMARU T YLINIEMELA A
Citation: T. Hirose et al., VERSATILITY OF KEMPS ACID IMIDES AS HEAVY-METAL ION CARRIERS, Chemical communications, (3), 1996, pp. 391-392
MODIFICATION OF KEMP TRIACID TO PRODUCE NEW LIGANDS SHOWING EFFICIENTALKALINE-EARTH METAL-ION TRANSPORT WITH STRUCTURE-DEPENDENT SELECTIVITY
Authors: BALDWIN BW HIROSE T WANG ZH UCHIMARU T YLINIEMELA A
Citation: Bw. Baldwin et al., MODIFICATION OF KEMP TRIACID TO PRODUCE NEW LIGANDS SHOWING EFFICIENTALKALINE-EARTH METAL-ION TRANSPORT WITH STRUCTURE-DEPENDENT SELECTIVITY, Chemistry Letters, (6), 1996, pp. 415-416
A COMPUTATIONAL STUDY ON MAGNESIUM COMPLEXATION WITH FORMATE AND HYDROGEN MALONATE ANIONS
Authors: YLINIEMELA A UCHIMARU T HIROSE T BALDWIN BW TANABE K
Citation: A. Yliniemela et al., A COMPUTATIONAL STUDY ON MAGNESIUM COMPLEXATION WITH FORMATE AND HYDROGEN MALONATE ANIONS, Journal of molecular structure. Theochem, 369, 1996, pp. 9-22
CONFORMATIONAL ENERGY PROFILES OF N-BUTANE, ETHYL METHYL-ETHER AND ETHYL METHYL SULFIDE - COMPARISON OF ELECTRON CORRELATION CORRECTION PROCEDURES
Authors: TSUZUKI S UCHIMARU T TANABE K
Citation: S. Tsuzuki et al., CONFORMATIONAL ENERGY PROFILES OF N-BUTANE, ETHYL METHYL-ETHER AND ETHYL METHYL SULFIDE - COMPARISON OF ELECTRON CORRELATION CORRECTION PROCEDURES, Journal of molecular structure. Theochem, 366(1-2), 1996, pp. 89-96
COMPARISON OF ATOMIC CHARGE-DISTRIBUTIONS OBTAINED FROM DIFFERENT PROCEDURES - BASIS-SET AND ELECTRON CORRELATION-EFFECTS
Authors: TSUZUKI S UCHIMARU T TANABE K YLINIEMELA A
Citation: S. Tsuzuki et al., COMPARISON OF ATOMIC CHARGE-DISTRIBUTIONS OBTAINED FROM DIFFERENT PROCEDURES - BASIS-SET AND ELECTRON CORRELATION-EFFECTS, Journal of molecular structure. Theochem, 365(2-3), 1996, pp. 81-88
ASYMMETRIC CATALYSIS OF CARBONYL-ENE AND ALDOL REACTIONS WITH FLUORALBY CHIRAL BINAPHTHOL-DERIVED TITANIUM COMPLEX
Authors: MIKAMI K YAJIMA T TAKASAKI T MATSUKAWA S TERADA M UCHIMARU T MARUTA M
Citation: K. Mikami et al., ASYMMETRIC CATALYSIS OF CARBONYL-ENE AND ALDOL REACTIONS WITH FLUORALBY CHIRAL BINAPHTHOL-DERIVED TITANIUM COMPLEX, Tetrahedron, 52(1), 1996, pp. 85-98
VISIBLE LIGHT-INDUCED REACTION OF NO2 WITH PROPENE IN LOW-TEMPERATUREARGON AND XENON MATRICES
Authors: NAKATA M SOMURA Y TAKAYANAGI M TANAKA N SHIBUYA K UCHIMARU T TANABE K
Citation: M. Nakata et al., VISIBLE LIGHT-INDUCED REACTION OF NO2 WITH PROPENE IN LOW-TEMPERATUREARGON AND XENON MATRICES, Journal of physical chemistry, 100(39), 1996, pp. 15815-15820
REFINEMENT OF NONBONDING INTERACTION PARAMETERS FOR CARBON-DIOXIDE ONTHE BASIS OF THE PAIR POTENTIALS OBTAINED BY MP2 6-311+G(2DF)-LEVEL AB-INITIO MOLECULAR-ORBITAL CALCULATIONS/
Authors: TSUZUKI S UCHIMARU T TANABE K KUWAJIMA S TAJIMA N HIRANO T
Citation: S. Tsuzuki et al., REFINEMENT OF NONBONDING INTERACTION PARAMETERS FOR CARBON-DIOXIDE ONTHE BASIS OF THE PAIR POTENTIALS OBTAINED BY MP2 6-311+G(2DF)-LEVEL AB-INITIO MOLECULAR-ORBITAL CALCULATIONS/, Journal of physical chemistry, 100(11), 1996, pp. 4400-4407
ELECTROSTATIC INTERACTIONS THAT DETERMINE THE RATE OF PSEUDOROTATION PROCESSES IN OXYPHOSPHORANE INTERMEDIATES - IMPLICATIONS WITH RESPECT TO THE ROLES OF METAL-IONS IN THE ENZYMATIC CLEAVAGE OF RNA
Authors: UCHIMARU T UEBAYASI M HIROSE T TSUZUKI S YLINIEMELA A TANABE K TAIRA K
Citation: T. Uchimaru et al., ELECTROSTATIC INTERACTIONS THAT DETERMINE THE RATE OF PSEUDOROTATION PROCESSES IN OXYPHOSPHORANE INTERMEDIATES - IMPLICATIONS WITH RESPECT TO THE ROLES OF METAL-IONS IN THE ENZYMATIC CLEAVAGE OF RNA, Journal of organic chemistry, 61(5), 1996, pp. 1599-1608
AB-INITIO INVESTIGATION ON NUCLEOPHILIC RING-OPENING OF 1,3,2-OXATHIAPHOSPHOLANE - NUCLEOPHILIC-SUBSTITUTION AT PHOSPHORUS COUPLED WITH PSEUDOROTATION
Authors: UCHIMARU T STEC WJ TSUZUKI S HIROSE T TANABE K TAIRA K
Citation: T. Uchimaru et al., AB-INITIO INVESTIGATION ON NUCLEOPHILIC RING-OPENING OF 1,3,2-OXATHIAPHOSPHOLANE - NUCLEOPHILIC-SUBSTITUTION AT PHOSPHORUS COUPLED WITH PSEUDOROTATION, Chemical physics letters, 263(5), 1996, pp. 691-696
MOLECULAR-DYNAMICS SIMULATION OF SUPERCRITICAL CARBON-DIOXIDE FLUID WITH THE MODEL POTENTIAL FROM AB-INITIO MOLECULAR-ORBITAL CALCULATIONS
Authors: TSUZUKI S UCHIMARU T MIKAMI M TANABE K SAKO T KUWAJIMA S
Citation: S. Tsuzuki et al., MOLECULAR-DYNAMICS SIMULATION OF SUPERCRITICAL CARBON-DIOXIDE FLUID WITH THE MODEL POTENTIAL FROM AB-INITIO MOLECULAR-ORBITAL CALCULATIONS, Chemical physics letters, 255(4-6), 1996, pp. 347-349
BASIS-SET EFFECTS ON THE CALCULATED BONDING ENERGIES OF NEUTRAL BENZENE DIMERS - IMPORTANCE OF DIFFUSE POLARIZATION FUNCTIONS
Authors: TSUZUKI S UCHIMARU T MIKAMI M TANABE K
Citation: S. Tsuzuki et al., BASIS-SET EFFECTS ON THE CALCULATED BONDING ENERGIES OF NEUTRAL BENZENE DIMERS - IMPORTANCE OF DIFFUSE POLARIZATION FUNCTIONS, Chemical physics letters, 252(3-4), 1996, pp. 206-210
KEMPS ACID IMIDES AS UPHILL TRANSPORT CARRIERS FOR ALKALINE-EARTH METAL-IONS
Authors: HIROSE T UCHIMARU T TSUZUKI S UEBAYASHI M TAIRA T
Citation: T. Hirose et al., KEMPS ACID IMIDES AS UPHILL TRANSPORT CARRIERS FOR ALKALINE-EARTH METAL-IONS, Chemistry Letters, (3), 1995, pp. 231-232
Risultati: 1-25 | 26-35