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Results: 1-18 |
Results: 18
CONFORMATIONAL AND SOLVATION ASPECTS OF THE CHORISMATE-PREPHENATE REARRANGEMENT STUDIED BY AB-INITIO ELECTRONIC-STRUCTURE AND SIMULATION METHODS
Authors: DAVIDSON MM GUEST JM CRAW JS HILLIER IH VINCENT MA
Citation: Mm. Davidson et al., CONFORMATIONAL AND SOLVATION ASPECTS OF THE CHORISMATE-PREPHENATE REARRANGEMENT STUDIED BY AB-INITIO ELECTRONIC-STRUCTURE AND SIMULATION METHODS, Perkin transactions. 2, (7), 1997, pp. 1395-1400
THE STRUCTURE AND INTERMOLECULAR INTERACTIONS OF A CREATININE DESIGNED RECEPTOR COMPLEX, STUDIED BY AB-INITIO METHODS
Authors: CRAW JS COOPER MD HILLIER IH
Citation: Js. Craw et al., THE STRUCTURE AND INTERMOLECULAR INTERACTIONS OF A CREATININE DESIGNED RECEPTOR COMPLEX, STUDIED BY AB-INITIO METHODS, Perkin transactions. 2, (5), 1997, pp. 869-871
THE EFFECT OF WATER ON THE CLAISEN REARRANGEMENT OF ALLYL VINYL ETHER- THEORETICAL METHODS INCLUDING EXPLICIT SOLVENT AND ELECTRON CORRELATION
Authors: GUEST JM CRAW JS VINCENT MA HILLIER IH
Citation: Jm. Guest et al., THE EFFECT OF WATER ON THE CLAISEN REARRANGEMENT OF ALLYL VINYL ETHER- THEORETICAL METHODS INCLUDING EXPLICIT SOLVENT AND ELECTRON CORRELATION, Perkin transactions. 2, (1), 1997, pp. 71-74
THEORETICAL AND EXPERIMENTAL STUDIES OF THE BARRIER TO AMINE ROTATIONIN CREATININE - INFLUENCE OF SOLVATION MODELS AND EXPLICIT SOLVATION
Authors: CRAW JS HILLIER IH MORRIS GA VINCENT MA
Citation: Js. Craw et al., THEORETICAL AND EXPERIMENTAL STUDIES OF THE BARRIER TO AMINE ROTATIONIN CREATININE - INFLUENCE OF SOLVATION MODELS AND EXPLICIT SOLVATION, Molecular physics, 92(3), 1997, pp. 421-427
SOLVATION AND SOLID-STATE EFFECTS ON THE STRUCTURE AND ENERGETICS OF THE TAUTOMERS OF CREATININE
Authors: CRAW JS GREATBANKS SP HILLIER IH HARRISON MJ BURTON NA
Citation: Js. Craw et al., SOLVATION AND SOLID-STATE EFFECTS ON THE STRUCTURE AND ENERGETICS OF THE TAUTOMERS OF CREATININE, The Journal of chemical physics, 106(16), 1997, pp. 6612-6617
EFFECT OF HYDRATION ON THE BARRIER TO INTERNAL-ROTATION IN FORMAMIDE - QUANTUM-MECHANICAL CALCULATIONS INCLUDING EXPLICIT SOLVENT AND CONTINUUM MODELS
Authors: CRAW JS GUEST JM COOPER MD BURTON NA HILLIER IH
Citation: Js. Craw et al., EFFECT OF HYDRATION ON THE BARRIER TO INTERNAL-ROTATION IN FORMAMIDE - QUANTUM-MECHANICAL CALCULATIONS INCLUDING EXPLICIT SOLVENT AND CONTINUUM MODELS, Journal of physical chemistry, 100(15), 1996, pp. 6304-6309
TOWARDS EFFICIENT MOLECULAR WIRES AND SWITCHES - THE BROOKER IONS
Authors: REIMERS JR CRAW JS BACSKAY GB HUSH NS
Citation: Jr. Reimers et al., TOWARDS EFFICIENT MOLECULAR WIRES AND SWITCHES - THE BROOKER IONS, Biosystems, 35(2-3), 1995, pp. 107-111
AB-INITIO QUANTUM-CHEMICAL CALCULATIONS ON URANYL UO22+ PLUTONYL PUO22+, AND THEIR NITRATES AND SULFATES
Authors: CRAW JS VINCENT MA HILLIER IH WALLWORK AL
Citation: Js. Craw et al., AB-INITIO QUANTUM-CHEMICAL CALCULATIONS ON URANYL UO22+ PLUTONYL PUO22+, AND THEIR NITRATES AND SULFATES, Journal of physical chemistry, 99(25), 1995, pp. 10181-10185
SOLVENT EFFECTS ON MOLECULAR AND IONIC SPECTRA .4. PHOTOCHEMISTRY OF FE2- POSSIBLE MECHANISMS FOR THE PRIMARY ABSORPTION PROCESS LEADING TOELECTRON EJECTION((H2O)(6) IN WATER REVISITED )
Authors: ZENG J CRAW JS HUSH NS REIMERS JR
Citation: J. Zeng et al., SOLVENT EFFECTS ON MOLECULAR AND IONIC SPECTRA .4. PHOTOCHEMISTRY OF FE2- POSSIBLE MECHANISMS FOR THE PRIMARY ABSORPTION PROCESS LEADING TOELECTRON EJECTION((H2O)(6) IN WATER REVISITED ), Journal of physical chemistry, 98(43), 1994, pp. 11075-11088
QUANTUM-CHEMICAL STUDY OF THE TRIMETHYLAMINE HYDROGEN-CHLORIDE COMPLEX
Authors: BACSKAY GB CRAW JS
Citation: Gb. Bacskay et Js. Craw, QUANTUM-CHEMICAL STUDY OF THE TRIMETHYLAMINE HYDROGEN-CHLORIDE COMPLEX, Chemical physics letters, 221(1-2), 1994, pp. 167-174
STRETCHED MOLECULAR-HYDROGEN COMPLEXES OF OSMIUM(II) - A QUANTUM-CHEMICAL STUDY OF THE INFLUENCE OF THE TRANS LIGAND ON GEOMETRIES, SPIN-SPIN COUPLING-CONSTANTS, BONDING, AND CHARGE-DISTRIBUTIONS
Authors: CRAW JS BACSKAY GB HUSH NS
Citation: Js. Craw et al., STRETCHED MOLECULAR-HYDROGEN COMPLEXES OF OSMIUM(II) - A QUANTUM-CHEMICAL STUDY OF THE INFLUENCE OF THE TRANS LIGAND ON GEOMETRIES, SPIN-SPIN COUPLING-CONSTANTS, BONDING, AND CHARGE-DISTRIBUTIONS, Journal of the American Chemical Society, 116(13), 1994, pp. 5937-5948
COMPARISON OF SOLITON GEOMETRY AND CHARGE-DENSITY-WAVE STRUCTURE, ANDBAND-GAPS, BETWEEN ODD POLYENE AND SYMMETRICAL POLYMETHINE CYANINE (BROOKER) IONS AND T-POLYACETYLENE-SCF AND MODEL HAMILTONIAN APPROACHES WITH IMPLICATIONS FOR MOLECULAR WIRES AND SWITCHES
Authors: REIMERS JR CRAW JS WONG A BACSKAY GB HUSH NS
Citation: Jr. Reimers et al., COMPARISON OF SOLITON GEOMETRY AND CHARGE-DENSITY-WAVE STRUCTURE, ANDBAND-GAPS, BETWEEN ODD POLYENE AND SYMMETRICAL POLYMETHINE CYANINE (BROOKER) IONS AND T-POLYACETYLENE-SCF AND MODEL HAMILTONIAN APPROACHES WITH IMPLICATIONS FOR MOLECULAR WIRES AND SWITCHES, Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals, 234, 1993, pp. 51-57
AB-INITIO MOLECULAR-ORBITAL STUDY OF CLF, HF BINARY COMPLEXES
Authors: DEALMEIDA WB BARKER DA HINCHLIFFE A CRAW JS
Citation: Wb. Dealmeida et al., AB-INITIO MOLECULAR-ORBITAL STUDY OF CLF, HF BINARY COMPLEXES, Journal of molecular structure. Theochem, 104(3), 1993, pp. 277-279
THE MOLECULAR-STRUCTURE OF THE BENZENE-CIF COMPLEX
Authors: DEALMEIDA WB CRAW JS
Citation: Wb. Dealmeida et Js. Craw, THE MOLECULAR-STRUCTURE OF THE BENZENE-CIF COMPLEX, Molecular physics, 78(6), 1993, pp. 1351-1364
SOLVENT EFFECTS ON MOLECULAR-SPECTRA .1. NORMAL-PRESSURE AND TEMPERATURE MONTE-CARLO SIMULATIONS OF THE STRUCTURE OF DILUTE PYRIMIDINE IN WATER
Authors: ZENG J CRAW JS HUSH NS REIMERS JR
Citation: J. Zeng et al., SOLVENT EFFECTS ON MOLECULAR-SPECTRA .1. NORMAL-PRESSURE AND TEMPERATURE MONTE-CARLO SIMULATIONS OF THE STRUCTURE OF DILUTE PYRIMIDINE IN WATER, The Journal of chemical physics, 99(3), 1993, pp. 1482-1495
GROUND AND 1ST EXCITED-STATES OF FRACTIONALLY CHARGED SODIUM ATOMS
Authors: PAVAO AC CRAW JS NASCIMENTO MAC
Citation: Ac. Pavao et al., GROUND AND 1ST EXCITED-STATES OF FRACTIONALLY CHARGED SODIUM ATOMS, International journal of quantum chemistry, 48(4), 1993, pp. 219-224
NEAR DOUBLING OF H-H BOND-LENGTH IN THE STRETCHED OSMIUM MOLECULAR-HYDROGEN COMPLEX [OS(NH3)4OAC(ETA-2-H2)]- A THEORETICAL-STUDY( )
Authors: CRAW JS BACSKAY GB HUSH NS
Citation: Js. Craw et al., NEAR DOUBLING OF H-H BOND-LENGTH IN THE STRETCHED OSMIUM MOLECULAR-HYDROGEN COMPLEX [OS(NH3)4OAC(ETA-2-H2)]- A THEORETICAL-STUDY( ), Inorganic chemistry, 32(11), 1993, pp. 2230-2231
MEDIUM EFFECTS ON MOLECULAR AND IONIC ELECTRONIC-SPECTRA - APPLICATION TO THE LOWEST 1(N, PI-ASTERISK) STATE OF DILUTE PYRIDINE IN WATER
Authors: ZENG J CRAW JS HUSH NS REIMERS JR
Citation: J. Zeng et al., MEDIUM EFFECTS ON MOLECULAR AND IONIC ELECTRONIC-SPECTRA - APPLICATION TO THE LOWEST 1(N, PI-ASTERISK) STATE OF DILUTE PYRIDINE IN WATER, Chemical physics letters, 206(1-4), 1993, pp. 323-328
Risultati: 1-18 |