Structure and inversion barrier of phosphirene and 1,2-dihydrophosphete. An ab initio study

Steven M. Bachrach

doi:10.1021/jo00006a045

Structure and inversion barrier of phosphirene and 1,2-dihydrophosphete. An ab initio study

The Journal of Organic Chemistry ◽

10.1021/jo00006a045 ◽

1991 ◽

Vol 56 (6) ◽

pp. 2205-2209 ◽

Cited By ~ 18

Author(s):

Steven M. Bachrach

Keyword(s):

Ab Initio ◽

Ab Initio Study ◽

Inversion Barrier ◽

And Inversion

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Structures, barriers for internal rotation and inversion, vibrational frequencies, and thermodynamic functions of CH2FCF2, CHF2CF2, and CF3CF2 radicals: An ab initio study

The Journal of Chemical Physics ◽

10.1063/1.460928 ◽

1991 ◽

Vol 95 (4) ◽

pp. 2774-2786 ◽

Cited By ~ 10

Author(s):

Yonghua Chen ◽

Arvi Rauk ◽

E. Tschuikow‐Roux

Keyword(s):

Ab Initio ◽

Internal Rotation ◽

Thermodynamic Functions ◽

Vibrational Frequencies ◽

Ab Initio Study ◽

And Inversion

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Electronic structure and inversion barrier of phosphine. An ab initio SCF–LCAO–MO study

Journal of the Chemical Society D Chemical Communications ◽

10.1039/c29690001327 ◽

1969 ◽

Vol 0 (22) ◽

pp. 1327-1329 ◽

Cited By ~ 26

Author(s):

J. M. Lehn ◽

B. Munsch

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Inversion Barrier ◽

And Inversion ◽

Lcao Mo

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Ab initio study of the inversion barrier in NF3+

International Journal of Quantum Chemistry ◽

10.1002/qua.560500207 ◽

1994 ◽

Vol 50 (2) ◽

pp. 151-160 ◽

Cited By ~ 1

Author(s):

T. L. Wetzel ◽

R. Shorrosh ◽

R. F. Borkman

Keyword(s):

Ab Initio ◽

Ab Initio Study ◽

Inversion Barrier

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ChemInform Abstract: Structures, Barriers for Internal Rotation and Inversion, Vibrational Frequencies, and Thermodynamic Functions of CH2FCHF, CHF2CHF, and CF3CHF Radicals: An ab initio Study.

ChemInform ◽

10.1002/chin.199139053 ◽

2010 ◽

Vol 22 (39) ◽

pp. no-no

Author(s):

Y. CHEN ◽

A. RAUK ◽

E. TSCHUIKOW-ROUX

Keyword(s):

Ab Initio ◽

Internal Rotation ◽

Thermodynamic Functions ◽

Vibrational Frequencies ◽

Ab Initio Study ◽

And Inversion

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Structures, barriers for internal rotation and inversion, vibrational frequencies, and thermodynamic functions of CH2FCHF, CHF2CHF, and CF3CHF radicals: An ab initio study

The Journal of Chemical Physics ◽

10.1063/1.460214 ◽

1991 ◽

Vol 94 (11) ◽

pp. 7299-7310 ◽

Cited By ~ 9

Author(s):

Yonghua Chen ◽

Arvi Rauk ◽

E. Tschuikow‐Roux

Keyword(s):

Ab Initio ◽

Internal Rotation ◽

Thermodynamic Functions ◽

Vibrational Frequencies ◽

Ab Initio Study ◽

And Inversion

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Structure and inversion barriers of corannulene, its dianion and tetraanion. An ab initio study

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(94)03961-j ◽

1995 ◽

Vol 333 (3) ◽

pp. 215-226 ◽

Cited By ~ 25

Author(s):

Andrzej Sygula ◽

Peter W. Rabideau

Keyword(s):

Ab Initio ◽

Ab Initio Study ◽

And Inversion

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Ab Initio Study of Cyclobutane: Molecular Structure, Ring-Puckering Potential, and Origin of the Inversion Barrier

The Journal of Physical Chemistry A ◽

10.1021/jp0405097 ◽

2005 ◽

Vol 109 (4) ◽

pp. 635-642 ◽

Cited By ~ 11

Author(s):

Eric D. Glendening ◽

Arthur M. Halpern

Keyword(s):

Molecular Structure ◽

Ab Initio ◽

Ab Initio Study ◽

Inversion Barrier ◽

Ring Puckering

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Ab initio calculations for the ground state and inversion barrier of NCl3

Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics ◽

10.1039/f29777301602 ◽

1977 ◽

Vol 73 (7) ◽

pp. 1602 ◽

Cited By ~ 4

Author(s):

Knut Faegri ◽

Walter Kosmus

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Ground State ◽

Inversion Barrier ◽

And Inversion

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ChemInform Abstract: AB INITIO CALCULATIONS FOR THE GROUND STATE AND INVERSION BARRIER OF NITROGEN TRICHLORIDE

Chemischer Informationsdienst ◽

10.1002/chin.197752007 ◽

1977 ◽

Vol 8 (52) ◽

Author(s):

K. JUN. FAEGRI ◽

W. KOSMUS

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Ground State ◽

Inversion Barrier ◽

Nitrogen Trichloride ◽

And Inversion

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An ab initio study of Se-reacted GaAs(0 0 1) surfaces

Journal of Crystal Growth ◽

10.1016/s0022-0248(97)00696-9 ◽

1998 ◽

Vol 184-185 (1-2) ◽

pp. 80-84 ◽

Cited By ~ 1

Author(s):

W Faschinger

Keyword(s):

Ab Initio ◽

Ab Initio Study

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