Density Functional Theory and Complete Basis Set Ab Initio Computational Study of Five-, Six-, Seven- and Eight-hydrogen Coordinated Carbon Cations

Ab Initio ◽

Density Functional ◽

Computational Study ◽

Basis Set ◽

Functional Theory ◽

Complete Basis ◽

Complete Basis Set ◽

High Level

High level ab initio and density functional theory studies are performed on highly protonated methane species.

Density Functional Theory and Complete Basis Set Ab Initio Computational Study of Five-, Six-, Seven- and Eight-hydrogen Coordinated Carbon Cations

Journal of Chemical Research Synopses ◽

10.1039/a902619c ◽

1999 ◽

pp. 502-503 ◽

Cited By ~ 2

Author(s):

Branko S. Jursic

Keyword(s):

Ab Initio ◽

Density Functional ◽

Computational Study ◽

Basis Set ◽

Functional Theory ◽

Complete Basis ◽

Hybrid density functional theory and quadratic complete basis set ab initio computational study of structural properties, vibrational spectra, and bond dissociation energy for methyl aluminum and methyl gallium

10.1016/s0166-1280(97)00262-5 ◽

1998 ◽

Vol 428 (1-3) ◽

pp. 61-66 ◽

Cited By ~ 39

Author(s):

Branko S. Jursic

Keyword(s):

Ab Initio ◽

Vibrational Spectra ◽

Density Functional ◽

Computational Study ◽

Basis Set ◽

Hybrid Density Functional Theory ◽

Functional Theory ◽

Complete Basis Set ◽

Hybrid Density Functional

Study of the water–methanol dimer with gaussian and complete basis set ab initio, and density functional theory methods

10.1016/s0166-1280(98)00383-2 ◽

1999 ◽

Vol 466 (1-3) ◽

pp. 203-209 ◽

Cited By ~ 12

Author(s):

B.S Jursic

Keyword(s):

Ab Initio ◽

Density Functional ◽

Basis Set ◽

Functional Theory ◽

Complete Basis ◽

Density functional theory and complete basis set ab initio evaluation of proton affinity for some selected chemical systems

10.1016/s0166-1280(99)00154-2 ◽

1999 ◽

Vol 487 (1-2) ◽

pp. 193-203 ◽

Cited By ~ 16

Author(s):

B.S Jursic

Keyword(s):

Ab Initio ◽

Proton Affinity ◽

Density Functional ◽

Basis Set ◽

Functional Theory ◽

Chemical Systems ◽

Complete Basis ◽

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

10.1016/s0166-1280(98)00147-x ◽

1999 ◽

Vol 460 (1-3) ◽

pp. 11-18 ◽

Cited By ~ 2

Author(s):

Branko S. Jursic

Keyword(s):

Ab Initio ◽

Density Functional ◽

Basis Set ◽

Insertion Reactions ◽

Functional Theory ◽

Complete Basis ◽

Complete Basis Set ◽

Hydrogen Insertion

Hybrid density functional theory, Gaussian, and complete basis set ab initio studies of the stability of aluminium monocarbonyl and aluminium isocarbonyl

Chemical Physics ◽

10.1016/s0301-0104(97)00073-6 ◽

1997 ◽

Vol 219 (1) ◽

pp. 57-62 ◽

Cited By ~ 34

Author(s):

Branko S. Jursic

Keyword(s):

Ab Initio ◽

Density Functional ◽

Basis Set ◽

Hybrid Density Functional Theory ◽

Functional Theory ◽

Complete Basis ◽

Complete Basis Set ◽

The Stability ◽

Hybrid Density Functional

Computing the heat of formation for cubane and tetrahedrane with density functional theory and complete basis set ab initio methods

10.1016/s0166-1280(99)00293-6 ◽

2000 ◽

Vol 499 (1-3) ◽

pp. 137-140 ◽

Cited By ~ 60

Author(s):

B.S. Jursic

Keyword(s):

Ab Initio ◽

Density Functional ◽

Heat Of Formation ◽

Basis Set ◽

Ab Initio Methods ◽

Functional Theory ◽

Complete Basis ◽

Complete basis set, gaussian and density functional theory study of molecular aggregates of beryllium hydride and boron hydride as a chain terminated in the polymerization of beryllium hydride

10.1016/s0166-1280(98)00379-0 ◽

1999 ◽

Vol 467 (1) ◽

pp. 7-23 ◽

Cited By ~ 4

Author(s):

B.S. Jursic

Keyword(s):

Density Functional ◽

Basis Set ◽

Boron Hydride ◽

Density Functional Theory Study ◽

Molecular Aggregates ◽

Functional Theory ◽

Complete Basis ◽

Complete Basis Set ◽

A Chain

Complete basis set, Gaussian, and density functional theory study of the vinylidine–acetylene rearrangement

10.1016/s0166-1280(98)00619-8 ◽

1999 ◽

Vol 488 (1-3) ◽

pp. 87-92 ◽

Cited By ~ 3

Author(s):

Branko S Jursic

Keyword(s):

Density Functional ◽

Basis Set ◽

Density Functional Theory Study ◽

Functional Theory ◽

Complete Basis ◽

Complete basis set, the MP2 ab initio, and hybrid density functional theory evaluation of ionization potential and electron affinity for PH, PH2, PHF, PF, and PF2

10.1016/s0166-1280(99)00327-9 ◽

2000 ◽

Vol 507 (1-3) ◽

pp. 11-16 ◽

Cited By ~ 11

Author(s):

B.S Jursic

Keyword(s):

Ab Initio ◽

Electron Affinity ◽

Density Functional ◽

Basis Set ◽

Hybrid Density Functional Theory ◽

Functional Theory ◽

Theory Evaluation ◽

Complete Basis Set ◽

Hybrid Density Functional