AAAAAA

   
Results: 1-25 | 26-50 | 51-75 | 76-79
Results: 51-75/79
Complete basis set ab initio study of potential energy surfaces of the dissociation recombination reaction HCNH++e(-)
Authors: Jursic, BS
Citation: Bs. Jursic, Complete basis set ab initio study of potential energy surfaces of the dissociation recombination reaction HCNH++e(-), THEOCHEM, 487(3), 1999, pp. 211-220
Complete basis set and ab initio computational study of hydronium ion addition to ethylene as an example of acid interactions with unsaturated hydrocarbons
Authors: Jursic, BS
Citation: Bs. Jursic, Complete basis set and ab initio computational study of hydronium ion addition to ethylene as an example of acid interactions with unsaturated hydrocarbons, THEOCHEM, 487(1-2), 1999, pp. 163-175
Density functional theory and complete basis set ab initio evaluation of proton affinity for some selected chemical systems
Authors: Jursic, BS
Citation: Bs. Jursic, Density functional theory and complete basis set ab initio evaluation of proton affinity for some selected chemical systems, THEOCHEM, 487(1-2), 1999, pp. 193-203
Aromaticity of simple hydrocarbons evaluated through computing isodesmic energies, rings bond order uniformity, and HOMO-LUMO energy gaps
Authors: Jursic, BS
Citation: Bs. Jursic, Aromaticity of simple hydrocarbons evaluated through computing isodesmic energies, rings bond order uniformity, and HOMO-LUMO energy gaps, THEOCHEM, 468(3), 1999, pp. 171-179
Theoretical study of the atomization energy and geometry of sulfur dioxideand sulfur monoxide
Authors: Jursic, BS
Citation: Bs. Jursic, Theoretical study of the atomization energy and geometry of sulfur dioxideand sulfur monoxide, THEOCHEM, 467(3), 1999, pp. 187-193
Theoretical study of the fluorine effect on the methylene insertion reaction in the hydrogen molecule, hydrogen fluoride, and the fluorine molecule
Authors: Jursic, BS
Citation: Bs. Jursic, Theoretical study of the fluorine effect on the methylene insertion reaction in the hydrogen molecule, hydrogen fluoride, and the fluorine molecule, THEOCHEM, 467(2), 1999, pp. 103-113
High level ab initio and density functional theory study of bond dissociation energy and enthalpy of formation for hypochloric and hypobromic acids
Authors: Jursic, BS
Citation: Bs. Jursic, High level ab initio and density functional theory study of bond dissociation energy and enthalpy of formation for hypochloric and hypobromic acids, THEOCHEM, 467(2), 1999, pp. 173-179
Gaussian, complete basis set, and density functional theory methods evaluation of the electron affinity for BO, B, and O
Authors: Jursic, BS
Citation: Bs. Jursic, Gaussian, complete basis set, and density functional theory methods evaluation of the electron affinity for BO, B, and O, THEOCHEM, 467(1), 1999, pp. 1-6
Complete basis set, gaussian and density functional theory study of molecular aggregates of beryllium hydride and boron hydride as a chain terminatedin the polymerization of beryllium hydride
Authors: Jursic, BS
Citation: Bs. Jursic, Complete basis set, gaussian and density functional theory study of molecular aggregates of beryllium hydride and boron hydride as a chain terminatedin the polymerization of beryllium hydride, THEOCHEM, 467(1), 1999, pp. 7-23
Study of the water-methanol dimer with gaussian and complete basis set ab initio, and density functional theory methods
Authors: Jursic, BS
Citation: Bs. Jursic, Study of the water-methanol dimer with gaussian and complete basis set ab initio, and density functional theory methods, THEOCHEM, 466, 1999, pp. 203-209
Finding, optimization, and verification of transition state structures with semi-empirical and ab-initio computational methods
Authors: Jursic, BS
Citation: Bs. Jursic, Finding, optimization, and verification of transition state structures with semi-empirical and ab-initio computational methods, THEOCHEM, 465(2-3), 1999, pp. 173-182
The ionization potential and electron affinity of PF and PF2
Authors: Jursic, BS
Citation: Bs. Jursic, The ionization potential and electron affinity of PF and PF2, THEOCHEM, 465(2-3), 1999, pp. 193-196
Density functional theory and quadratic complete basis set ab initio studies of the HNSi to HSiN isomerization and hydrogen insertion reactions with further isomerizations of the insertion products
Authors: Jursic, BS
Citation: Bs. Jursic, Density functional theory and quadratic complete basis set ab initio studies of the HNSi to HSiN isomerization and hydrogen insertion reactions with further isomerizations of the insertion products, THEOCHEM, 460(1-3), 1999, pp. 11-18
Density functional theory investigation of physical properties of the OCCNradical and the cation
Authors: Jursic, BS
Citation: Bs. Jursic, Density functional theory investigation of physical properties of the OCCNradical and the cation, THEOCHEM, 460(1-3), 1999, pp. 207-212
High level ab initio and a hybrid density functional theory study of the bond dissociation energies and heats of formation for FOOF and FOOCl
Authors: Jursic, BS
Citation: Bs. Jursic, High level ab initio and a hybrid density functional theory study of the bond dissociation energies and heats of formation for FOOF and FOOCl, THEOCHEM, 459(1-3), 1999, pp. 23-27
The inertia principle and implementation in the cycloaddition reaction with aromatic heterocycles performed with AM1 semiempirical and density functional theory study
Authors: Jursic, BS
Citation: Bs. Jursic, The inertia principle and implementation in the cycloaddition reaction with aromatic heterocycles performed with AM1 semiempirical and density functional theory study, THEOCHEM, 459(1-3), 1999, pp. 215-220
Potential energy surface for H2Si2 isomer explored with complete basis setab initio method
Authors: Jursic, BS
Citation: Bs. Jursic, Potential energy surface for H2Si2 isomer explored with complete basis setab initio method, THEOCHEM, 459(1-3), 1999, pp. 221-228
Energetic and structural properties of silicon dicarbides calculated with complete basis set and hybrid density functional theory methods
Authors: Jursic, BS
Citation: Bs. Jursic, Energetic and structural properties of silicon dicarbides calculated with complete basis set and hybrid density functional theory methods, THEOCHEM, 458(3), 1999, pp. 257-261
Hybrid density functional theory study of hydrogen cluster aromaticity by computing their relative energies and magnetic properties
Authors: Jursic, BS
Citation: Bs. Jursic, Hybrid density functional theory study of hydrogen cluster aromaticity by computing their relative energies and magnetic properties, INT J QUANT, 73(5), 1999, pp. 451-458
High level of ab initio and density functional theory evaluation of the C-O bond dissociation energies in the dimethyl ether anion
Authors: Jursic, BS
Citation: Bs. Jursic, High level of ab initio and density functional theory evaluation of the C-O bond dissociation energies in the dimethyl ether anion, INT J QUANT, 73(3), 1999, pp. 299-306
High-level ab initio computational study of acetylene radical cation and anion decomposition process
Authors: Jursic, BS
Citation: Bs. Jursic, High-level ab initio computational study of acetylene radical cation and anion decomposition process, INT J QUANT, 72(6), 1999, pp. 571-579
High-level ab initio computational study of doublet and quartet nitrogen reaction with methane
Authors: Jursic, BS
Citation: Bs. Jursic, High-level ab initio computational study of doublet and quartet nitrogen reaction with methane, INT J QUANT, 71(6), 1999, pp. 481-490
Density functional theory exploring the HONO potential energy surface
Authors: Jursic, BS
Citation: Bs. Jursic, Density functional theory exploring the HONO potential energy surface, CHEM P LETT, 299(3-4), 1999, pp. 334-344
High level ab initio and density functional theory study of bond selectivedissociation of CH3SH and CH3CH2SH radical cations
Authors: Jursic, BS
Citation: Bs. Jursic, High level ab initio and density functional theory study of bond selectivedissociation of CH3SH and CH3CH2SH radical cations, THEOR CH AC, 100(5-6), 1998, pp. 329-332
Computational studies of interstellar silicon-nitrogen molecular species
Authors: Jursic, BS
Citation: Bs. Jursic, Computational studies of interstellar silicon-nitrogen molecular species, THEOCHEM, 455(1), 1998, pp. 77-83
Risultati: 1-25 | 26-50 | 51-75 | 76-79