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Results: 1-25 | 26-42
Results: 1-25/42
IS THE METALLOCENE (3-THF-CH2-CP)(2)ZRCL2 A BETTER CATALYST THAN THE CORRESPONDING 2-THF DERIVATIVE FOR OLEFIN POLYMERIZATION - A MOLECULARMODELING STUDY
Authors: GRIFFITHS EAH GOULD IR RAMDAS S
Citation: Eah. Griffiths et al., IS THE METALLOCENE (3-THF-CH2-CP)(2)ZRCL2 A BETTER CATALYST THAN THE CORRESPONDING 2-THF DERIVATIVE FOR OLEFIN POLYMERIZATION - A MOLECULARMODELING STUDY, Chemical communications, (20), 1998, pp. 2177-2178
TIME-RESOLVED RESONANCE RAMAN AND MOLECULAR-ORBITAL STUDIES OF CHARGESEPARATION AND INTRAMOLECULAR REORGANIZATION
Authors: SCHOLES GD GOULD IR PARKER AW PHILLIPS D
Citation: Gd. Scholes et al., TIME-RESOLVED RESONANCE RAMAN AND MOLECULAR-ORBITAL STUDIES OF CHARGESEPARATION AND INTRAMOLECULAR REORGANIZATION, Chemical physics, 234(1-3), 1998, pp. 21-34
OPTICAL-PROPERTIES OF SOLVATED MOLECULES CALCULATED BY A QMMM METHOD - CHLOROPHYLL-A AND BACTERIOCHLOROPHYLL A
Authors: MERCER IP GOULD IR KLUG DR
Citation: Ip. Mercer et al., OPTICAL-PROPERTIES OF SOLVATED MOLECULES CALCULATED BY A QMMM METHOD - CHLOROPHYLL-A AND BACTERIOCHLOROPHYLL A, Faraday discussions, (108), 1997, pp. 51-62
SPECIFIC SOLUTE-SOLVENT INTERACTIONS - THE ETHENE(+)...AR COMPLEX
Authors: SCHOLES GD HARCOURT RD GOULD IR PHILLIPS D
Citation: Gd. Scholes et al., SPECIFIC SOLUTE-SOLVENT INTERACTIONS - THE ETHENE(+)...AR COMPLEX, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(4), 1997, pp. 678-684
THE EFFECTS OF BASIS-SET AND BLOCKING GROUPS ON THE CONFORMATIONAL ENERGIES OF GLYCYL AND ALANYL DIPEPTIDES - A HARTREE-FOCK AND MP2 STUDY
Authors: CORNELL WD GOULD IR KOLLMAN PA
Citation: Wd. Cornell et al., THE EFFECTS OF BASIS-SET AND BLOCKING GROUPS ON THE CONFORMATIONAL ENERGIES OF GLYCYL AND ALANYL DIPEPTIDES - A HARTREE-FOCK AND MP2 STUDY, Journal of molecular structure. Theochem, 392, 1997, pp. 101-109
COMBINED APPLICATION OF PICOSECOND TRANSIENT ABSORPTION AND EMISSION MEASUREMENTS IN STUDIES OF RADICAL-ION PAIR DYNAMICS
Authors: ARNOLD BR ATHERTON SJ FARID S GOODMAN JL GOULD IR
Citation: Br. Arnold et al., COMBINED APPLICATION OF PICOSECOND TRANSIENT ABSORPTION AND EMISSION MEASUREMENTS IN STUDIES OF RADICAL-ION PAIR DYNAMICS, Photochemistry and photobiology, 65(1), 1997, pp. 15-22
LOW-LYING EXCITED-STATES OF 4-DIMETHYLAMINOBENZONITRILE - EQUILIBRIUMGEOMETRIES, VIBRATIONAL FREQUENCIES AND CHARGE-TRANSFER CHARACTER
Authors: SCHOLES GD PHILLIPS D GOULD IR
Citation: Gd. Scholes et al., LOW-LYING EXCITED-STATES OF 4-DIMETHYLAMINOBENZONITRILE - EQUILIBRIUMGEOMETRIES, VIBRATIONAL FREQUENCIES AND CHARGE-TRANSFER CHARACTER, Chemical physics letters, 266(5-6), 1997, pp. 521-526
NUCLEOPHILE-ASSISTED CLEAVAGE OF BENZYLTRIALKYLSILANE CATION RADICALS
Authors: DOCKERY KP DINNOCENZO JP FARID S GOODMAN JL GOULD IR TODD WP
Citation: Kp. Dockery et al., NUCLEOPHILE-ASSISTED CLEAVAGE OF BENZYLTRIALKYLSILANE CATION RADICALS, Journal of the American Chemical Society, 119(8), 1997, pp. 1876-1883
BOND-COUPLED ELECTRON-TRANSFER PROCESSES - A NEW STRATEGY FOR HIGH-EFFICIENCY PHOTOINDUCED ELECTRON-TRANSFER REACTIONS
Authors: KARKI SB DINNOCENZO JP FARID S GOODMAN JL GOULD IR ZONA TA
Citation: Sb. Karki et al., BOND-COUPLED ELECTRON-TRANSFER PROCESSES - A NEW STRATEGY FOR HIGH-EFFICIENCY PHOTOINDUCED ELECTRON-TRANSFER REACTIONS, Journal of the American Chemical Society, 119(2), 1997, pp. 431-432
MECHANISM AND TRANSITION-STATE STRUCTURE FOR PAPAIN-CATALYZED AMIDE HYDROLYSIS, USING A HYBRID QM MM POTENTIAL/
Authors: HARRISON MJ BURTON NA HILLIER IH GOULD IR
Citation: Mj. Harrison et al., MECHANISM AND TRANSITION-STATE STRUCTURE FOR PAPAIN-CATALYZED AMIDE HYDROLYSIS, USING A HYBRID QM MM POTENTIAL/, Chemical communications, (24), 1996, pp. 2769-2770
THE MECHANISM OF THE CATALYSIS OF THE CLAISEN REARRANGEMENT OF CHORISMATE TO PREPHENATE BY THE CHORISMATE MUTASE FROM BACILLUS-SUBTILIS - AMOLECULAR MECHANICS AND HYBRID QUANTUM-MECHANICAL MOLECULAR MECHANICAL STUDY
Authors: DAVIDSON MM GOULD IR HILLIER IH
Citation: Mm. Davidson et al., THE MECHANISM OF THE CATALYSIS OF THE CLAISEN REARRANGEMENT OF CHORISMATE TO PREPHENATE BY THE CHORISMATE MUTASE FROM BACILLUS-SUBTILIS - AMOLECULAR MECHANICS AND HYBRID QUANTUM-MECHANICAL MOLECULAR MECHANICAL STUDY, Perkin transactions. 2, (4), 1996, pp. 525-532
RESONANCE RAMAN ANALYSIS OF CHARGE-TRANSFER REORGANIZATION ENERGIES IN A COVALENT DICYANOETHYLENE-AZA-ADAMANTANE
Authors: PHILLIPS DL GOULD IR VERHOEVEN JW TITTELBACHHELMRICH D MYERS AB
Citation: Dl. Phillips et al., RESONANCE RAMAN ANALYSIS OF CHARGE-TRANSFER REORGANIZATION ENERGIES IN A COVALENT DICYANOETHYLENE-AZA-ADAMANTANE, Chemical physics letters, 258(1-2), 1996, pp. 87-93
A SECOND GENERATION FORCE-FIELD FOR THE SIMULATION OF PROTEINS, NUCLEIC-ACIDS, AND ORGANIC-MOLECULES (VOL 117, PG 5179, 1995)
Authors: CORNELL WD CIEPLAK P BAYLY CI GOULD IR MERZ KM FERGUSON DM SPELLMEYER DC FOX T CALDWELL JW KOLLMAN PA
Citation: Wd. Cornell et al., A SECOND GENERATION FORCE-FIELD FOR THE SIMULATION OF PROTEINS, NUCLEIC-ACIDS, AND ORGANIC-MOLECULES (VOL 117, PG 5179, 1995), Journal of the American Chemical Society, 118(9), 1996, pp. 2309-2309
ABSOLUTE ENERGIES OF INTERCONVERTING CONTACT AND SOLVENT-SEPARATED RADICAL-ION PAIRS
Authors: ARNOLD BR FARID S GOODMAN JL GOULD IR
Citation: Br. Arnold et al., ABSOLUTE ENERGIES OF INTERCONVERTING CONTACT AND SOLVENT-SEPARATED RADICAL-ION PAIRS, Journal of the American Chemical Society, 118(23), 1996, pp. 5482-5483
DYNAMICS OF BIMOLECULAR PHOTOINDUCED ELECTRON-TRANSFER REACTIONS
Authors: GOULD IR FARID S
Citation: Ir. Gould et S. Farid, DYNAMICS OF BIMOLECULAR PHOTOINDUCED ELECTRON-TRANSFER REACTIONS, Accounts of chemical research, 29(11), 1996, pp. 522-528
FACTORS CONTROLLING THE EFFICIENCIES OF PHOTOINDUCED ELECTRON-TRANSFER REACTIONS
Authors: GOULD IR MOSER JE ARMITAGE B FARID S
Citation: Ir. Gould et al., FACTORS CONTROLLING THE EFFICIENCIES OF PHOTOINDUCED ELECTRON-TRANSFER REACTIONS, Research of chemical intermediates, 21(7), 1995, pp. 793-806
TAUTOMERISM IN URACIL, CYTOSINE AND GUANINE - A COMPARISON OF ELECTRON CORRELATION PREDICTED BY AB-INITIO AND DENSITY-FUNCTIONAL THEORY METHODS
Authors: GOULD IR BURTON NA HALL RJ HILLIER IH
Citation: Ir. Gould et al., TAUTOMERISM IN URACIL, CYTOSINE AND GUANINE - A COMPARISON OF ELECTRON CORRELATION PREDICTED BY AB-INITIO AND DENSITY-FUNCTIONAL THEORY METHODS, Journal of molecular structure. Theochem, 331(1-2), 1995, pp. 147-154
CONTRIBUTION OF TRANSITION-STATE BINDING TO THE CATALYTIC ACTIVITY OFBACILLUS-SUBTILIS CHORISMATE MUTASE
Authors: DAVIDSON MM GOULD IR HILLIER IH
Citation: Mm. Davidson et al., CONTRIBUTION OF TRANSITION-STATE BINDING TO THE CATALYTIC ACTIVITY OFBACILLUS-SUBTILIS CHORISMATE MUTASE, Journal of the Chemical Society, Chemical Communications, (1), 1995, pp. 63-64
SPECTROSCOPIC, KINETIC, AND THERMODYNAMIC DEUTERIUM-ISOTOPE EFFECTS IN THE HEXAMETHYLBENZENE TETRACYANOETHYLENE CHARGE-TRANSFER COMPLEX/
Authors: KULINOWSKI K GOULD IR FERRIS NS MYERS AB
Citation: K. Kulinowski et al., SPECTROSCOPIC, KINETIC, AND THERMODYNAMIC DEUTERIUM-ISOTOPE EFFECTS IN THE HEXAMETHYLBENZENE TETRACYANOETHYLENE CHARGE-TRANSFER COMPLEX/, Journal of physical chemistry, 99(50), 1995, pp. 17715-17723
ABSORPTION, FLUORESCENCE, AND RESONANCE RAMAN-SPECTROSCOPY OF THE HEXAMETHYLBENZENE TETRACYANOETHYLENE CHARGE-TRANSFER COMPLEX - TOWARD A SELF-CONSISTENT MODEL
Authors: KULINOWSKI K GOULD IR MYERS AB
Citation: K. Kulinowski et al., ABSORPTION, FLUORESCENCE, AND RESONANCE RAMAN-SPECTROSCOPY OF THE HEXAMETHYLBENZENE TETRACYANOETHYLENE CHARGE-TRANSFER COMPLEX - TOWARD A SELF-CONSISTENT MODEL, Journal of physical chemistry, 99(22), 1995, pp. 9017-9026
PHOTOCHEMICAL ELECTRON-TRANSFER INITIATED OXIDATIVE FRAGMENTATION OF AMINOPINACOLS - FACTORS GOVERNING REACTION-RATES AND QUANTUM EFFICIENCIES OF C-C BOND-CLEAVAGE
Authors: GAN H LEINHOS U GOULD IR WHITTEN DG
Citation: H. Gan et al., PHOTOCHEMICAL ELECTRON-TRANSFER INITIATED OXIDATIVE FRAGMENTATION OF AMINOPINACOLS - FACTORS GOVERNING REACTION-RATES AND QUANTUM EFFICIENCIES OF C-C BOND-CLEAVAGE, Journal of physical chemistry, 99(11), 1995, pp. 3566-3573
ADSORPTION ENERGIES OF NH3 AND NH4- AN EMBEDDED-CLUSTER MODEL INCLUDING ELECTRON CORRELATION( IN ZEOLITES )
Authors: GREATBANKS SP SHERWOOD P HILLIER IH HALL RJ BURTON NA GOULD IR
Citation: Sp. Greatbanks et al., ADSORPTION ENERGIES OF NH3 AND NH4- AN EMBEDDED-CLUSTER MODEL INCLUDING ELECTRON CORRELATION( IN ZEOLITES ), Chemical physics letters, 234(4-6), 1995, pp. 367-372
A 2ND GENERATION FORCE-FIELD FOR THE SIMULATION OF PROTEINS, NUCLEIC-ACIDS, AND ORGANIC-MOLECULES
Authors: CORNELL WD CIEPLAK P BAYLY CI GOULD IR MERZ KM FERGUSON DM SPELLMEYER DC FOX T CALDWELL JW KOLLMAN PA
Citation: Wd. Cornell et al., A 2ND GENERATION FORCE-FIELD FOR THE SIMULATION OF PROTEINS, NUCLEIC-ACIDS, AND ORGANIC-MOLECULES, Journal of the American Chemical Society, 117(19), 1995, pp. 5179-5197
DYNAMICS OF INTERCONVERSION OF CONTACT AND SOLVENT-SEPARATED RADICAL-ION PAIRS
Authors: ARNOLD BR NOUKAKIS D FARID S GOODMAN JL GOULD IR
Citation: Br. Arnold et al., DYNAMICS OF INTERCONVERSION OF CONTACT AND SOLVENT-SEPARATED RADICAL-ION PAIRS, Journal of the American Chemical Society, 117(15), 1995, pp. 4399-4400
NOVEL INTERMOLECULAR AND INTRAMOLECULAR PHOTOCHEMICAL-REACTIONS INITIATED BY EXCITED-STATE ELECTRON-TRANSFER PROCESSES
Authors: GAN H KELLETT MA LEON JW KLOEPPNER L LEINHOS U GOULD IR FARID S WHITTEN DG
Citation: H. Gan et al., NOVEL INTERMOLECULAR AND INTRAMOLECULAR PHOTOCHEMICAL-REACTIONS INITIATED BY EXCITED-STATE ELECTRON-TRANSFER PROCESSES, Journal of photochemistry and photobiology. A, Chemistry, 82(1-3), 1994, pp. 211-218
Risultati: 1-25 | 26-42