Theoretical investigation of isomerism in molecular salts and ion-molecule complexes of the type Li+�AB?AB�Li+ (AB=CN?, BO?, BeF?, N2, CO, and BF) with the aid of nonempirical calculations with consideration of electron correlation

V. V. Yakobson; D. G. Musaev; O. P. Charkin

doi:10.1007/bf00755193

Theoretical investigation of isomerism in molecular salts and ion-molecule complexes of the type Li+�AB?AB�Li+ (AB=CN?, BO?, BeF?, N2, CO, and BF) with the aid of nonempirical calculations with consideration of electron correlation

Journal of Structural Chemistry ◽

10.1007/bf00755193 ◽

1987 ◽

Vol 27 (6) ◽

pp. 859-869 ◽

Cited By ~ 2

Author(s):

V. V. Yakobson ◽

D. G. Musaev ◽

O. P. Charkin

Keyword(s):

Theoretical Investigation ◽

Electron Correlation ◽

Nonempirical Calculations ◽

Molecular Salts ◽

Ion Molecule Complexes

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Force constants, vibrational frequencies, and barriers to intramolecular rearrangements in LiNC, LiBO2, and LiNO2 according to data from nonempirical calculations with the consideration of electron correlation

Journal of Structural Chemistry ◽

10.1007/bf00743574 ◽

1990 ◽

Vol 31 (3) ◽

pp. 386-391

Author(s):

V. G. Solomonik ◽

V. L. Bugaenko

Keyword(s):

Electron Correlation ◽

Vibrational Frequencies ◽

Force Constants ◽

Intramolecular Rearrangements ◽

Nonempirical Calculations

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Nonempirical calculations of the structure and relative stability of sodium hydrides with consideration of the electron correlation

Journal of Structural Chemistry ◽

10.1007/bf00754122 ◽

1986 ◽

Vol 26 (4) ◽

pp. 520-524

Author(s):

A. S. Zyubin ◽

A. A. Gorbik ◽

O. P. Charkin

Keyword(s):

Electron Correlation ◽

Relative Stability ◽

Nonempirical Calculations

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Nonempirical calculations of the geometric structure and relative stability of the hydrides LiH n � and Li2H n � with consideration of the electron correlation

Journal of Structural Chemistry ◽

10.1007/bf00754121 ◽

1986 ◽

Vol 26 (4) ◽

pp. 515-520

Author(s):

A. S. Zyubin ◽

A. A. Gorbik ◽

O. P. Charkin

Keyword(s):

Electron Correlation ◽

Geometric Structure ◽

Relative Stability ◽

Nonempirical Calculations

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Stability and structure of the binuclear hydride ions B2H 3 � and Al2H 3 � according to data from nonempirical calculations with consideration of electron correlation

Journal of Structural Chemistry ◽

10.1007/bf00755197 ◽

1987 ◽

Vol 27 (6) ◽

pp. 882-894

Author(s):

A. S. Zyubin ◽

O. P. Charkin

Keyword(s):

Electron Correlation ◽

Nonempirical Calculations ◽

Hydride Ions

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A theoretical investigation of electron correlation and relaxation in organometallic polymers

International Journal of Quantum Chemistry ◽

10.1002/qua.560270309 ◽

1985 ◽

Vol 27 (3) ◽

pp. 323-374 ◽

Cited By ~ 7

Author(s):

Michael C. Böuhm

Keyword(s):

Theoretical Investigation ◽

Electron Correlation ◽

Organometallic Polymers

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Perturbation theoretical investigation of electron correlation effects in infinite metallic and semiconducting polymers

International Journal of Quantum Chemistry ◽

10.1002/qua.560230414 ◽

1983 ◽

Vol 23 (4) ◽

pp. 1239-1256 ◽

Cited By ~ 56

Author(s):

S�ndor Suhai

Keyword(s):

Theoretical Investigation ◽

Electron Correlation ◽

Semiconducting Polymers ◽

Correlation Effects ◽

Electron Correlation Effects

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Theoretical investigation of equilibrium structure, harmonic force field and vibrational spectra of borane diammine: effects of basis set and electron correlation

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)91307-x ◽

1996 ◽

Vol 375 (1-2) ◽

pp. 127-141

Author(s):

Amrendra Vijay ◽

D.N. Sathyanarayana

Keyword(s):

Force Field ◽

Theoretical Investigation ◽

Vibrational Spectra ◽

Electron Correlation ◽

Equilibrium Structure ◽

Basis Set ◽

Harmonic Force

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Structure and stability of the binuclear hydride ions Be2H3 � and Mg2H3 � indicated by nonempirical calculations incorporating electron correlation

Journal of Structural Chemistry ◽

10.1007/bf00749539 ◽

1987 ◽

Vol 28 (1) ◽

pp. 13-19 ◽

Cited By ~ 1

Author(s):

A. S. Zyubin ◽

O. P. Charkin

Keyword(s):

Electron Correlation ◽

Structure And Stability ◽

Nonempirical Calculations ◽

Hydride Ions

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A theoretical investigation of hydride bridging in chiral oxazaborolidine-borane adducts: The importance of electron correlation

Tetrahedron Asymmetry ◽

10.1016/s0957-4166(00)86234-5 ◽

1994 ◽

Vol 5 (5) ◽

pp. 813-816 ◽

Cited By ~ 13

Author(s):

Lynda P. Linney ◽

Christopher R. Self ◽

Ian H. Williams

Keyword(s):

Theoretical Investigation ◽

Electron Correlation

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Theoretical investigation of equilibrium structure, harmonic force field and vibrational spectra of borane diammine: effects of basis set and electron correlation

Journal of Molecular Structure ◽

10.1016/0022-2860(95)08950-0 ◽

1996 ◽

Vol 375 (1-2) ◽

pp. 127-141

Author(s):

Amrendra Vijay ◽

D.N. Sathyanarayana

Keyword(s):

Force Field ◽

Theoretical Investigation ◽

Vibrational Spectra ◽

Electron Correlation ◽

Equilibrium Structure ◽

Basis Set ◽

Harmonic Force

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