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Results: 1-13 |
Results: 13
CALIBRATION AND BENCHMARKING OF MODEL CORE POTENTIALS - APPLICATIONS TO SYSTEMS CONTAINING MAIN-GROUP ELEMENTS
Authors: DECKER SA KLOBUKOWSKI M SAKAI Y MIYOSHI E
Citation: Sa. Decker et al., CALIBRATION AND BENCHMARKING OF MODEL CORE POTENTIALS - APPLICATIONS TO SYSTEMS CONTAINING MAIN-GROUP ELEMENTS, Journal of molecular structure. Theochem, 451(1-2), 1998, pp. 215-226
PROTON AFFINITIES OF RARE-GASES
Authors: KLOBUKOWSKI M
Citation: M. Klobukowski, PROTON AFFINITIES OF RARE-GASES, Polish Journal of Chemistry, 72(7), 1998, pp. 1472-1478
THE FIRST CARBONYL BOND-DISSOCIATION ENERGIES OF M(CO)(5) AND M(CO)(4)(C2H2) (M = FE, RU, AND OS) - THE ROLE OF THE ACETYLENE LIGAND FROM ADENSITY-FUNCTIONAL PERSPECTIVE
Authors: DECKER SA KLOBUKOWSKI M
Citation: Sa. Decker et M. Klobukowski, THE FIRST CARBONYL BOND-DISSOCIATION ENERGIES OF M(CO)(5) AND M(CO)(4)(C2H2) (M = FE, RU, AND OS) - THE ROLE OF THE ACETYLENE LIGAND FROM ADENSITY-FUNCTIONAL PERSPECTIVE, Journal of the American Chemical Society, 120(36), 1998, pp. 9342-9355
ELECTROPHILIC BROMINATION OF ETHYLENE AND ETHYLENE-D(4) - A COMBINED EXPERIMENTAL AND THEORETICAL-STUDY
Authors: KOERNER T BROWN RS GAINSFORTH JL KLOBUKOWSKI M
Citation: T. Koerner et al., ELECTROPHILIC BROMINATION OF ETHYLENE AND ETHYLENE-D(4) - A COMBINED EXPERIMENTAL AND THEORETICAL-STUDY, Journal of the American Chemical Society, 120(23), 1998, pp. 5628-5636
A CONTRIBUTION TO THE UNDERSTANDING OF CARBONYL MIGRATION IN MN-2(CO)(10) VIA THE PAIRWISE EXCHANGE MECHANISM
Authors: DECKER SA DONINI O KLOBUKOWSKI M
Citation: Sa. Decker et al., A CONTRIBUTION TO THE UNDERSTANDING OF CARBONYL MIGRATION IN MN-2(CO)(10) VIA THE PAIRWISE EXCHANGE MECHANISM, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(46), 1997, pp. 8734-8740
MODEL POTENTIALS FOR MAIN-GROUP ELEMENTS LI THROUGH RN
Authors: SAKAI Y MIYOSHI E KLOBUKOWSKI M HUZINAGA S
Citation: Y. Sakai et al., MODEL POTENTIALS FOR MAIN-GROUP ELEMENTS LI THROUGH RN, The Journal of chemical physics, 106(19), 1997, pp. 8084-8092
STRUCTURE AND REACTIONS OF THE SUCCINIMIDYL RADICAL - A DENSITY-FUNCTIONAL STUDY
Authors: GAINSFORTH JL KLOBUKOWSKI M TANNER DD
Citation: Jl. Gainsforth et al., STRUCTURE AND REACTIONS OF THE SUCCINIMIDYL RADICAL - A DENSITY-FUNCTIONAL STUDY, Journal of the American Chemical Society, 119(14), 1997, pp. 3339-3346
ON THE PERFORMANCE OF MOLECULAR-MODEL CORE POTENTIAL ORBITALS IN SPIN-ORBIT AND ELECTRON CORRELATION STUDIES
Authors: KRAUSE D KLOBUKOWSKI M
Citation: D. Krause et M. Klobukowski, ON THE PERFORMANCE OF MOLECULAR-MODEL CORE POTENTIAL ORBITALS IN SPIN-ORBIT AND ELECTRON CORRELATION STUDIES, Canadian journal of chemistry, 74(6), 1996, pp. 1248-1252
GAS-PHASE STRUCTURE OF THE BROMONIUM ION OF 2-METHYLPROPENE
Authors: KLOBUKOWSKI M BROWN RS
Citation: M. Klobukowski et Rs. Brown, GAS-PHASE STRUCTURE OF THE BROMONIUM ION OF 2-METHYLPROPENE, Journal of organic chemistry, 59(23), 1994, pp. 7156-7160
SYSTEMATIC SEQUENCES OF WELL-BALANCED GAUSSIAN-BASIS SETS
Authors: KLOBUKOWSKI M
Citation: M. Klobukowski, SYSTEMATIC SEQUENCES OF WELL-BALANCED GAUSSIAN-BASIS SETS, Canadian journal of chemistry, 72(7), 1994, pp. 1741-1752
STABLE BROMONIUM AND IODONIUM IONS OF THE HINDERED OLEFINS ADAMANTYLIDENEADAMANTANE AND BICYCLO[3.3.1]NONYLIDENEBICYCLO[3.3.1]NONANE - X-RAY STRUCTURE, TRANSFER OF POSITIVE HALOGENS TO ACCEPTOR OLEFINS, AND AB-INITIO STUDIES
Authors: BROWN RS NAGORSKI RW BENNET AJ MCCLUNG RED AARTS GHM KLOBUKOWSKI M MCDONALD R SANTARSIERO BD
Citation: Rs. Brown et al., STABLE BROMONIUM AND IODONIUM IONS OF THE HINDERED OLEFINS ADAMANTYLIDENEADAMANTANE AND BICYCLO[3.3.1]NONYLIDENEBICYCLO[3.3.1]NONANE - X-RAY STRUCTURE, TRANSFER OF POSITIVE HALOGENS TO ACCEPTOR OLEFINS, AND AB-INITIO STUDIES, Journal of the American Chemical Society, 116(6), 1994, pp. 2448-2456
AB-INITIO SCF AND MOLLER-PLESSET STUDIES ON HEXAFLUORIDES OF SELENIUMAND TELLURIUM
Authors: KLOBUKOWSKI M
Citation: M. Klobukowski, AB-INITIO SCF AND MOLLER-PLESSET STUDIES ON HEXAFLUORIDES OF SELENIUMAND TELLURIUM, Journal of computational chemistry, 14(10), 1993, pp. 1234-1239
COMPARISON OF GENERATOR FORMULAS FOR EXPONENTIAL PARAMETERS OF GAUSSIAN-BASIS SETS
Authors: KLOBUKOWSKI M
Citation: M. Klobukowski, COMPARISON OF GENERATOR FORMULAS FOR EXPONENTIAL PARAMETERS OF GAUSSIAN-BASIS SETS, Chemical physics letters, 214(2), 1993, pp. 166-174
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