AAAAAA
Results: 1-25/30
Authors:
SHAPLEY WA
BACSKAY GB
WARR GG
Citation: Wa. Shapley et al., AB-INITIO QUANTUM-CHEMICAL STUDIES OF THE PK(A)S OF HYDROXYBENZOIC ACIDS IN AQUEOUS-SOLUTION WITH SPECIAL REFERENCE TO THE HYDROPHOBICITY OF HYDROXYBENZOATES AND THEIR BINDING TO SURFACTANTS, JOURNAL OF PHYSICAL CHEMISTRY B, 102(11), 1998, pp. 1938-1944
Authors:
KNEPP PT
SCALLEY CK
BACSKAY GB
KABLE SH
Citation: Pt. Knepp et al., ELECTRONIC SPECTROSCOPY AND AB-INITIO QUANTUM-CHEMICAL STUDY OF THE (A)OVER-TILDE((1)A'')-(X)OVER-TILDE((1)A') TRANSITION OF CFBR, The Journal of chemical physics, 109(6), 1998, pp. 2220-2232
Authors:
SCHMIDT TW
BACSKAY GB
KABLE SH
Citation: Tw. Schmidt et al., AB-INITIO POTENTIAL-ENERGY SURFACE AND VIBRATIONAL FREQUENCIES OF A ((1)A'') HCF, Chemical physics letters, 292(1-2), 1998, pp. 80-86
Authors:
BACSKAY GB
MARTOPRAWIRO M
MACKIE JC
Citation: Gb. Bacskay et al., AN AB-INITIO QUANTUM-CHEMICAL STUDY OF THE ELECTRONIC-STRUCTURE AND STABILITY OF THE PYRROLYL RADICAL - COMPARISON WITH THE ISOELECTRONIC CYCLOPENTADIENYL RADICAL, Chemical physics letters, 290(4-6), 1998, pp. 391-398
Authors:
JONES J
BACSKAY GB
MACKIE JC
Citation: J. Jones et al., DECOMPOSITION OF THE BENZYL RADICAL - QUANTUM-CHEMICAL AND EXPERIMENTAL (SHOCK-TUBE) INVESTIGATIONS OF REACTION PATHWAYS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(38), 1997, pp. 7105-7113
Authors:
BACSKAY GB
BUCKINGHAM AD
Citation: Gb. Bacskay et Ad. Buckingham, NUCLEAR-QUADRUPOLE COUPLING-CONSTANTS IN ALKALI-HALIDE MOLECULES - ANAB-INITIO QUANTUM-CHEMICAL STUDY, Molecular physics, 91(3), 1997, pp. 391-400
Authors:
BACSKAY GB
REIMERS JR
NORDHOLM S
Citation: Gb. Bacskay et al., THE MECHANISM OF COVALENT BONDING, Journal of chemical education, 74(12), 1997, pp. 1494-1502
Authors:
REIMERS JR
BACSKAY GB
NORDHOLM S
Citation: Jr. Reimers et al., THE BASICS OF COVALENT BONDING, Journal of chemical education, 74(12), 1997, pp. 1503-1503
Authors:
LU TX
BACSKAY GB
HAYMET ADJ
Citation: Tx. Lu et al., CALCULATION OF SOLVATION ENERGIES - THE SELF-CONSISTENT MULTIPOLE MOMENT REACTION FIELD METHOD, Molecular physics, 88(1), 1996, pp. 173-185
Authors:
GRIMM AR
BACSKAY GB
HAYMET ADJ
Citation: Ar. Grimm et al., QUANTUM-CHEMICAL STUDIES OF THE SOLVATION OF THE HYDROXIDE ION (VOL 86, PG 369, 1995), Molecular physics, 87(2), 1996, pp. 529-529
Authors:
BYTHEWAY I
BACSKAY GB
HUSH NS
Citation: I. Bytheway et al., LIGAND-EXCHANGE REACTIONS IN MOLECULAR-HYDROGEN COMPLEXES OF OSMIUM(II) - A QUANTUM-CHEMICAL STUDY USING DENSITY-FUNCTIONAL THEORY, Journal of physical chemistry, 100(36), 1996, pp. 14899-14903
Authors:
BYTHEWAY I
BACSKAY GB
HUSH NS
Citation: I. Bytheway et al., QUANTUM-CHEMICAL STUDY OF THE PROPERTIES OF MOLECULAR-HYDROGEN COMPLEXES OF OSMIUM(II) - A COMPARISON OF DENSITY-FUNCTIONAL AND CONVENTIONAL AB-INITIO METHODS, Journal of physical chemistry, 100(15), 1996, pp. 6023-6031
Authors:
JONES J
BACSKAY GB
MACKIE JC
Citation: J. Jones et al., THE PYROLYSIS OF 3-PICOLINE - AB-INITIO QUANTUM-CHEMICAL AND EXPERIMENTAL (SHOCK-TUBE) KINETIC-STUDIES, Israel Journal of Chemistry, 36(3), 1996, pp. 239-248
Authors:
BACSKAY GB
BYTHEWAY I
HUSH NS
Citation: Gb. Bacskay et al., H-D SPIN-SPIN COUPLING IN STRETCHED MOLECULAR-HYDROGEN COMPLEXES OF OSMIUM(II) - DENSITY-FUNCTIONAL STUDIES OF J(HD), Journal of the American Chemical Society, 118(15), 1996, pp. 3753-3756
Authors:
JONES J
BACSKAY GB
MACKIE JC
DOUGHTY A
Citation: J. Jones et al., AB-INITIO STUDIES OF THE THERMAL-DECOMPOSITION OF AZAAROMATICS - FREE-RADICAL VERSUS INTRAMOLECULAR MECHANISM, Journal of the Chemical Society. Faraday transactions, 91(11), 1995, pp. 1587-1592
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
Authors:
GRIMM AR
BACSKAY GB
HAYMET ADJ
Citation: Ar. Grimm et al., QUANTUM-CHEMICAL STUDIES OF THE SOLVATION OF THE HYDROXIDE ION, Molecular physics, 86(3), 1995, pp. 369-384
Authors:
MARTOPRAWIRO MA
BACSKAY GB
Citation: Ma. Martoprawiro et Gb. Bacskay, QUANTUM-CHEMICAL STUDIES OF THE PYRROLE-WATER AND PYRIDINE-WATER COMPLEXES, Molecular physics, 85(3), 1995, pp. 573-585
Authors:
CAMERON MR
KABLE SH
BACSKAY GB
Citation: Mr. Cameron et al., THE ELECTRONIC SPECTROSCOPY OF JET-COOLED DIFLUOROCARBENE (CF2) - THEMISSING (A)OVER-TILDE-STATE STRETCHING FREQUENCIES, The Journal of chemical physics, 103(11), 1995, pp. 4476-4483
Authors:
BACSKAY GB
Citation: Gb. Bacskay, ON THE CALCULATION OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS - THE BOND-LENGTH DEPENDENCE OF THE FERMI CONTACT TERM IN H-2 AND HD, Chemical physics letters, 242(4-5), 1995, pp. 507-513
Authors:
DOUGHTY A
BACSKAY GB
MACKIE JC
Citation: A. Doughty et al., EXPERIMENTAL AND AB-INITIO THEORETICAL-STUDY OF THE KINETICS OF REARRANGEMENT OF KETENE IMINE TO ACETONITRILE, Journal of physical chemistry, 98(51), 1994, pp. 13546-13555
Authors:
DOUGHTY A
MACKIE JC
BACSKAY GB
Citation: A. Doughty et al., EXPERIMENTAL AND THEORETICAL-STUDY OF THE ISOMERIZATION OF N-METHYLPYRROLE, Chemical physics letters, 221(3-4), 1994, pp. 267-273
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
Authors:
WONG AT
BACSKAY GB
Citation: At. Wong et Gb. Bacskay, AB-INITIO PREDICTION OF THE VIBRATIONAL FREQUENCIES OF N2S, Chemical physics letters, 217(1-2), 1994, pp. 17-23
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