Vibrational stabilization of preferred conformations of partially deuterated n-butane cations: comparison of ab initio calculations and electron spin resonance results

S. Lunell; L. A. Eriksson; L. Worstbrock

doi:10.1021/ja00020a010

Vibrational stabilization of preferred conformations of partially deuterated n-butane cations: comparison of ab initio calculations and electron spin resonance results

Journal of the American Chemical Society ◽

10.1021/ja00020a010 ◽

1991 ◽

Vol 113 (20) ◽

pp. 7508-7512 ◽

Cited By ~ 9

Author(s):

S. Lunell ◽

L. A. Eriksson ◽

L. Worstbrock

Keyword(s):

Electron Spin Resonance ◽

Ab Initio Calculations ◽

Ab Initio ◽

Electron Spin ◽

Vibrational Stabilization ◽

Spin Resonance

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Electron spin resonance investigation of small magnesium cluster cation radicals, Mg+N, in neon and argon matrices at 4 K: Comparison with ab initio calculations

The Journal of Chemical Physics ◽

10.1063/1.466833 ◽

1994 ◽

Vol 100 (11) ◽

pp. 7867-7874 ◽

Cited By ~ 19

Author(s):

Lon B. Knight ◽

Cheryl B. Cleveland ◽

Regina F. Frey ◽

Ernest R. Davidson

Keyword(s):

Electron Spin Resonance ◽

Ab Initio Calculations ◽

Ab Initio ◽

Electron Spin ◽

Resonance Investigation ◽

Cation Radicals ◽

Cluster Cation ◽

Spin Resonance ◽

Electron Spin Resonance Investigation ◽

Argon Matrices

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An electron spin resonance investigation of the 12C11B12C, 12C11B13C, and 13C11B13C radicals in neon, argon, and krypton matrices: Comparison with ab initio calculations

The Journal of Chemical Physics ◽

10.1063/1.471125 ◽

1996 ◽

Vol 104 (13) ◽

pp. 4927-4936 ◽

Cited By ~ 16

Author(s):

Lon B. Knight ◽

Scott Cobranchi ◽

Edward Earl ◽

Allan J. McKinley

Keyword(s):

Electron Spin Resonance ◽

Ab Initio Calculations ◽

Ab Initio ◽

Electron Spin ◽

Resonance Investigation ◽

Spin Resonance ◽

Electron Spin Resonance Investigation

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Electron spin resonance rare gas matrix studies of 12CO2−, 13CO2−, and C17O−2: Comparison with ab initio calculations

The Journal of Chemical Physics ◽

10.1063/1.472456 ◽

1996 ◽

Vol 105 (14) ◽

pp. 5672-5686 ◽

Cited By ~ 12

Author(s):

Lon B. Knight ◽

Devon Hill ◽

Kenneth Berry ◽

Robert Babb ◽

David Feller

Keyword(s):

Electron Spin Resonance ◽

Ab Initio Calculations ◽

Ab Initio ◽

Electron Spin ◽

Rare Gas ◽

Spin Resonance

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Electron spin resonance matrix isolation studies of 27Al16,17O, 69,71Ga16,17O and 115In16,17O: Observed hyperfine interactions compared with ab initio theoretical results

The Journal of Chemical Physics ◽

10.1063/1.475164 ◽

1997 ◽

Vol 107 (18) ◽

pp. 7011-7019 ◽

Cited By ~ 29

Author(s):

Lon B. Knight ◽

Thomas J. Kirk ◽

John Herlong ◽

John G. Kaup ◽

E. R. Davidson

Keyword(s):

Electron Spin Resonance ◽

Ab Initio ◽

Electron Spin ◽

Hyperfine Interactions ◽

Matrix Isolation ◽

Spin Resonance ◽

Theoretical Results

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Ab initio SCF + CI study of the vibrational effects in the electron spin resonance spectrum of the simplest nitroxide radical: H2NO

The Journal of Physical Chemistry ◽

10.1021/j150664a027 ◽

1984 ◽

Vol 88 (20) ◽

pp. 4581-4583 ◽

Cited By ~ 21

Author(s):

F. Pauzat ◽

H. Gritli ◽

Y. Ellinger ◽

R. Subra

Keyword(s):

Electron Spin Resonance ◽

Ab Initio ◽

Electron Spin Resonance Spectrum ◽

Electron Spin ◽

Resonance Spectrum ◽

Nitroxide Radical ◽

Spin Resonance

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ChemInform Abstract: AB INITIO SCF + CI STUDY OF THE VIBRATIONAL EFFECTS IN THE ELECTRON SPIN RESONANCE SPECTRUM OF THE SIMPLEST NITROXIDE RADICAL: H2NO

Chemischer Informationsdienst ◽

10.1002/chin.198452010 ◽

1984 ◽

Vol 15 (52) ◽

Author(s):

F. PAUZAT ◽

H. GRITLI ◽

Y. ELLINGER ◽

R. SUBRA

Keyword(s):

Electron Spin Resonance ◽

Ab Initio ◽

Electron Spin Resonance Spectrum ◽

Electron Spin ◽

Resonance Spectrum ◽

Nitroxide Radical ◽

Spin Resonance

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Asymmetrically distorted structure of radical cations of ethylsilanes, studied by electron spin resonance spectroscopy, ab initio and density functional theories

Physical Chemistry Chemical Physics ◽

10.1039/a905143k ◽

1999 ◽

Vol 1 (19) ◽

pp. 4549-4554 ◽

Cited By ~ 5

Author(s):

Kenji Komaguchi ◽

Takao Marutani ◽

Masaru Shiotani ◽

Akinori Hasegawa

Keyword(s):

Electron Spin Resonance ◽

Ab Initio ◽

Electron Spin ◽

Density Functional ◽

Radical Cations ◽

Electron Spin Resonance Spectroscopy ◽

Resonance Spectroscopy ◽

Distorted Structure ◽

Spin Resonance

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Electron spin resonance investigations of aluminum hydrides (AlH2, AlHD, AlD2), and aluminum hydroxides (Al(OH)2, and Al(OD)2) in neon matrixes at 4 K; comparisons with ab initio theoretical calculations

The Journal of Physical Chemistry ◽

10.1021/j100109a010 ◽

1993 ◽

Vol 97 (7) ◽

pp. 1304-1311 ◽

Cited By ~ 29

Author(s):

Lon B. Knight ◽

James R. Woodward ◽

Thomas J. Kirk ◽

C. A. Arrington

Keyword(s):

Electron Spin Resonance ◽

Ab Initio ◽

Electron Spin ◽

Theoretical Calculations ◽

Aluminum Hydroxides ◽

Spin Resonance ◽

Aluminum Hydrides

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Electron spin resonance studies of 45Sc17O, 89Y17O, and 139La17O in rare gas matrices: Comparison with ab initio electronic structure and nuclear hyperfine calculations

The Journal of Chemical Physics ◽

10.1063/1.478464 ◽

1999 ◽

Vol 110 (12) ◽

pp. 5658-5669 ◽

Cited By ~ 29

Author(s):

Lon B. Knight ◽

John G. Kaup ◽

Benjamin Petzoldt ◽

Ramzi Ayyad ◽

Tapan K. Ghanty ◽

...

Keyword(s):

Electronic Structure ◽

Electron Spin Resonance ◽

Ab Initio ◽

Electron Spin ◽

Rare Gas ◽

Spin Resonance ◽

Ab Initio Electronic Structure

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An electron spin resonance investigation of vanadium dioxide (51V16O2 and 51V17O2) and 51V17O in neon matrices with preliminary assignments for VO3 and V+2: Comparison with ab initio theoretical calculations

The Journal of Chemical Physics ◽

10.1063/1.472953 ◽

1996 ◽

Vol 105 (23) ◽

pp. 10237-10250 ◽

Cited By ~ 38

Author(s):

Lon B. Knight ◽

Robert Babb ◽

Matthew Ray ◽

T. J. Banisaukas ◽

Larry Russon ◽

...

Keyword(s):

Electron Spin Resonance ◽

Ab Initio ◽

Electron Spin ◽

Vanadium Dioxide ◽

Theoretical Calculations ◽

Resonance Investigation ◽

Spin Resonance ◽

Electron Spin Resonance Investigation

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