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Results: 1-25 | 26-31
Results: 1-25/31
THE SPIN-COUPLED DESCRIPTION OF PHENYLENEDIMETHYLIDENE
Authors: FRIISJENSEN B COOPER DL RETTRUP S KARADAKOV PB
Citation: B. Friisjensen et al., THE SPIN-COUPLED DESCRIPTION OF PHENYLENEDIMETHYLIDENE, Journal of the Chemical Society. Faraday transactions (Print), 94(22), 1998, pp. 3301-3305
SPIN-COUPLED DESCRIPTION OF FLUOROCYCLOPHOSPHAZENES (NPF2)(3), (NPF2)(4), (NPF2)(5)
Authors: RAIMONDI M SIRONI M GERRATT J COOPER DL KARADAKOV PB
Citation: M. Raimondi et al., SPIN-COUPLED DESCRIPTION OF FLUOROCYCLOPHOSPHAZENES (NPF2)(3), (NPF2)(4), (NPF2)(5), Journal of the Chemical Society. Faraday transactions, 94(11), 1998, pp. 1541-1545
MODERN VALENCE-BOND DESCRIPTION OF CHEMICAL-REACTION MECHANISMS - DIELS-ALDER REACTION
Authors: KARADAKOV PB COOPER DL GERRATT J
Citation: Pb. Karadakov et al., MODERN VALENCE-BOND DESCRIPTION OF CHEMICAL-REACTION MECHANISMS - DIELS-ALDER REACTION, Journal of the American Chemical Society, 120(16), 1998, pp. 3975-3981
ANTIFERROMAGNETIC SPIN COUPLINGS IN CYCLOBUTADIENE CHAINS
Authors: RAOS G MCNICHOLAS SJ GERRATT J COOPER DL KARADAKOV PB
Citation: G. Raos et al., ANTIFERROMAGNETIC SPIN COUPLINGS IN CYCLOBUTADIENE CHAINS, JOURNAL OF PHYSICAL CHEMISTRY B, 101(34), 1997, pp. 6688-6691
SPIN-COUPLED VALENCE-BOND STUDY OF THE REACTION BETWEEN BENZENE AND AMETHYL CATION
Authors: RAOS G ASTORRI L RAIMONDI M COOPER DL GERRATT J KARADAKOV PB
Citation: G. Raos et al., SPIN-COUPLED VALENCE-BOND STUDY OF THE REACTION BETWEEN BENZENE AND AMETHYL CATION, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(15), 1997, pp. 2886-2892
CHEMICAL BONDING IN OXOFLUORIDES OF HYPERCOORDINATE SULFUR
Authors: CUNNINGHAM TP COOPER DL GERRATT J KARADAKOV PB RAIMONDI M
Citation: Tp. Cunningham et al., CHEMICAL BONDING IN OXOFLUORIDES OF HYPERCOORDINATE SULFUR, Journal of the Chemical Society. Faraday transactions, 93(13), 1997, pp. 2247-2254
MODERN VALENCE-BOND THEORY
Authors: GERRATT J COOPER DL KARADAKOV PB RAIMONDI M
Citation: J. Gerratt et al., MODERN VALENCE-BOND THEORY, Chemical Society reviews, 26(2), 1997, pp. 87-100
CONROTATORY AND DISROTATORY PATHWAYS IN THE ELECTROCYCLIC ISOMERIZATION OF CYCLOBUTENE TO CIS-BUTADIENE - THE SPIN-COUPLED VIEWPOINT
Authors: OLIVA JM GERRATT J KARADAKOV PB COOPER DL
Citation: Jm. Oliva et al., CONROTATORY AND DISROTATORY PATHWAYS IN THE ELECTROCYCLIC ISOMERIZATION OF CYCLOBUTENE TO CIS-BUTADIENE - THE SPIN-COUPLED VIEWPOINT, The Journal of chemical physics, 107(21), 1997, pp. 8917-8926
STUDY OF THE ELECTRONIC STATES OF THE ALLYL RADICAL USING SPIN-COUPLED VALENCE-BOND THEORY
Authors: OLIVA JM GERRATT J COOPER DL KARADAKOV PB RAIMONDI M
Citation: Jm. Oliva et al., STUDY OF THE ELECTRONIC STATES OF THE ALLYL RADICAL USING SPIN-COUPLED VALENCE-BOND THEORY, The Journal of chemical physics, 106(9), 1997, pp. 3663-3672
THE ELECTRONIC-STRUCTURE OF BORABENZENE - COMBINATION OF AN AROMATIC PI-SEXTET AND A REACTIVE SIGMA-FRAMEWORK
Authors: KARADAKOV PB ELLIS M GERRATT J
Citation: Pb. Karadakov et al., THE ELECTRONIC-STRUCTURE OF BORABENZENE - COMBINATION OF AN AROMATIC PI-SEXTET AND A REACTIVE SIGMA-FRAMEWORK, International journal of quantum chemistry, 63(2), 1997, pp. 441-449
MODERN VALENCE-BOND REPRESENTATIONS OF CASSCF WAVE-FUNCTIONS
Authors: THORSTEINSSON T COOPER DL GERRATT J KARADAKOV PB RAIMONDI M
Citation: T. Thorsteinsson et al., MODERN VALENCE-BOND REPRESENTATIONS OF CASSCF WAVE-FUNCTIONS, Theoretica Chimica Acta, 93(6), 1996, pp. 343-366
CHEMICAL BONDING IN OXOHALIDES OF HYPERCOORDINATE NITROGEN AND PHOSPHORUS
Authors: CUNNINGHAM TP COOPER DL GERRATT J KARADAKOV PB RAIMONDI M
Citation: Tp. Cunningham et al., CHEMICAL BONDING IN OXOHALIDES OF HYPERCOORDINATE NITROGEN AND PHOSPHORUS, International journal of quantum chemistry, 60(1), 1996, pp. 393-400
MODERN VALENCE-BOND DESCRIPTION OF THE ELECTRONIC-STRUCTURE OF BENZOCYCLOBUTADIENE
Authors: KARADAKOV PB GERRATT J COOPER DL RAIMONDI M SIRONI M
Citation: Pb. Karadakov et al., MODERN VALENCE-BOND DESCRIPTION OF THE ELECTRONIC-STRUCTURE OF BENZOCYCLOBUTADIENE, International journal of quantum chemistry, 60(1), 1996, pp. 545-552
THE EXTRAORDINARY ELECTRONIC-STRUCTURE OF N2S2
Authors: GERRATT J MCNICHOLAS SJ KARADAKOV PB SIRONI M RAIMONDI M COOPER DL
Citation: J. Gerratt et al., THE EXTRAORDINARY ELECTRONIC-STRUCTURE OF N2S2, Journal of the American Chemical Society, 118(27), 1996, pp. 6472-6476
CATALYTIC CHEMISTRY OF FURAN AND THIOPHENE - AB-INITIO CALCULATIONS, USING THE SPIN-COUPLED VALENCE-BOND METHOD, OF THE INTERACTION OF FURAN AND THIOPHENE WITH A POSITIVELY CHARGED CENTER
Authors: MITCHELL PCH RAOS GM KARADAKOV PB GERRATT J COOPER DL
Citation: Pch. Mitchell et al., CATALYTIC CHEMISTRY OF FURAN AND THIOPHENE - AB-INITIO CALCULATIONS, USING THE SPIN-COUPLED VALENCE-BOND METHOD, OF THE INTERACTION OF FURAN AND THIOPHENE WITH A POSITIVELY CHARGED CENTER, Journal of the Chemical Society. Faraday transactions, 91(4), 1995, pp. 749-758
AROMATIC ELECTROPHILIC SUBSTITUTION - A MODERN VALENCE-BOND STUDY
Authors: RAOS G GERRATT J KARADAKOV PB COOPER DL RAIMONDI M
Citation: G. Raos et al., AROMATIC ELECTROPHILIC SUBSTITUTION - A MODERN VALENCE-BOND STUDY, Journal of the Chemical Society. Faraday transactions, 91(22), 1995, pp. 4011-4030
MODERN VALENCE-BOND DESCRIPTION OF THE GROUND-STATE OF LI-2(-)
Authors: PETCH B COOPER DL GERRATT J KARADAKOV PB RAIMONDI M
Citation: B. Petch et al., MODERN VALENCE-BOND DESCRIPTION OF THE GROUND-STATE OF LI-2(-), Journal of the Chemical Society. Faraday transactions, 91(21), 1995, pp. 3751-3754
BONDING IN YXXY DIHALIDES AND DIHYDRIDES OF DIOXYGEN AND DISULFUR
Authors: ALLERES DR COOPER DL CUNNINGHAM TP GERRATT J KARADAKOV PB RAIMONDI M
Citation: Dr. Alleres et al., BONDING IN YXXY DIHALIDES AND DIHYDRIDES OF DIOXYGEN AND DISULFUR, Journal of the Chemical Society. Faraday transactions, 91(19), 1995, pp. 3357-3362
MODERN VALENCE-BOND DESCRIPTION OF (CH3)(4)LI-4
Authors: COOPER DL GERRATT J KARADAKOV PB RAIMONDI M
Citation: Dl. Cooper et al., MODERN VALENCE-BOND DESCRIPTION OF (CH3)(4)LI-4, Journal of the Chemical Society. Faraday transactions, 91(19), 1995, pp. 3363-3365
MODERN VALENCE-BOND DESCRIPTION OF BONDING IN STRAINED 3-MEMBERED RINGS - CYCLOPROPANE, AZIRIDINE, ETHENE OXIDE, PHOSPHIRANE AND THIIRANE
Authors: KARADAKOV PB GERRATT J COOPER DL RAIMONDI M
Citation: Pb. Karadakov et al., MODERN VALENCE-BOND DESCRIPTION OF BONDING IN STRAINED 3-MEMBERED RINGS - CYCLOPROPANE, AZIRIDINE, ETHENE OXIDE, PHOSPHIRANE AND THIIRANE, Journal of molecular structure. Theochem, 341, 1995, pp. 13-24
SPINS - A COLLECTION OF ALGORITHMS FOR SYMBOLIC GENERATION AND TRANSFORMATION OF MANY-ELECTRON SPIN EIGENFUNCTIONS
Authors: KARADAKOV PB GERRATT J COOPER DL RAIMONDI M
Citation: Pb. Karadakov et al., SPINS - A COLLECTION OF ALGORITHMS FOR SYMBOLIC GENERATION AND TRANSFORMATION OF MANY-ELECTRON SPIN EIGENFUNCTIONS, Theoretica Chimica Acta, 90(1), 1995, pp. 51-73
THE ELECTRONIC-STRUCTURE OF CYCLOOCTATETRAENE AND THE MODERN VALENCE-BOND UNDERSTANDING OF ANTIAROMATICITY
Authors: KARADAKOV PB GERRATT J COOPER DL RAIMONDI M
Citation: Pb. Karadakov et al., THE ELECTRONIC-STRUCTURE OF CYCLOOCTATETRAENE AND THE MODERN VALENCE-BOND UNDERSTANDING OF ANTIAROMATICITY, Journal of physical chemistry, 99(25), 1995, pp. 10186-10195
SPIN-COUPLED DESCRIPTION OF ORGANIC-REACTION PATHWAYS - THE CYCLOADDITION REACTION OF 2 ETHENE MOLECULES
Authors: KARADAKOV PB GERRATT J COOPER DL RAIMONDI M
Citation: Pb. Karadakov et al., SPIN-COUPLED DESCRIPTION OF ORGANIC-REACTION PATHWAYS - THE CYCLOADDITION REACTION OF 2 ETHENE MOLECULES, Journal of the Chemical Society. Faraday transactions, 90(12), 1994, pp. 1643-1651
A SYMPOSIUM ON POTENTIAL-ENERGY SURFACES AND ORGANIC-REACTION PATHS WAS HELD AT THE UNIVERSITY-OF-OXFORD ON THE 15TH, 16TH AND 17TH DECEMBER 1993 - GENERAL DISCUSSION
Authors: SHAIK S BERNARDI F CLARK T NGUYEN MT",OLIVUCCI,"TRUHLAR DG BORDEN WT BUTLER LJ SCHLEYER PV KARADAKOV PB HOUK KN GERRATT J ROBB MA STONE AJ WILLIAMS F KARPLUS M",BALLY,WILSON,"MICHL J",WALSH,"TOMASI J BERTRAN J
Citation: S. Shaik et al., A SYMPOSIUM ON POTENTIAL-ENERGY SURFACES AND ORGANIC-REACTION PATHS WAS HELD AT THE UNIVERSITY-OF-OXFORD ON THE 15TH, 16TH AND 17TH DECEMBER 1993 - GENERAL DISCUSSION, Journal of the Chemical Society. Faraday transactions, 90(12), 1994, pp. 1669-1680
A SYMPOSIUM ON POTENTIAL-ENERGY SURFACES AND ORGANIC-REACTION PATHS WAS HELD AT THE UNIVERSITY-OF-OXFORD ON THE 15TH, 16TH AND 17TH DECEMBER 1993 - GENERAL DISCUSSION
Authors: KARADAKOV PB TOMASI J WILLIAMS F",MAERKER,"BERTRAN J NGUYEN MT SHAIK S KARPLUS M GERRATT J SCHLEYER PV TRUHLAR DG",MITCHELL,"BORDEN WT",WALSH,CLARK,BALLY,"BUTLER LJ HOUK KN
Citation: Pb. Karadakov et al., A SYMPOSIUM ON POTENTIAL-ENERGY SURFACES AND ORGANIC-REACTION PATHS WAS HELD AT THE UNIVERSITY-OF-OXFORD ON THE 15TH, 16TH AND 17TH DECEMBER 1993 - GENERAL DISCUSSION, Journal of the Chemical Society. Faraday transactions, 90(12), 1994, pp. 1799-1810
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