Absence of an energetically viable pathway for triplet 1,2 hydrogen shifts. A theoretical study of the vinylidene-acetylene isomerization

Morgan P. Conrad; Henry F. Schaefer

doi:10.1021/ja00493a006

Absence of an energetically viable pathway for triplet 1,2 hydrogen shifts. A theoretical study of the vinylidene-acetylene isomerization

Journal of the American Chemical Society ◽

10.1021/ja00493a006 ◽

1978 ◽

Vol 100 (25) ◽

pp. 7820-7823 ◽

Cited By ~ 41

Author(s):

Morgan P. Conrad ◽

Henry F. Schaefer

Keyword(s):

Theoretical Study ◽

Hydrogen Shifts

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A Theoretical Study of the Allene Effect in [1,n] Sigmatropic Hydrogen Shifts

Journal of the American Chemical Society ◽

10.1021/ja00133a021 ◽

1995 ◽

Vol 117 (28) ◽

pp. 7487-7492 ◽

Cited By ~ 24

Author(s):

Frank Jensen

Keyword(s):

Theoretical Study ◽

Hydrogen Shifts

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Nitrosomethane and its nitrone and oxime isomers. A theoretical study of 1,2- and 1,3-intramolecular hydrogen shifts

Journal of the American Chemical Society ◽

10.1021/ja00532a015 ◽

1980 ◽

Vol 102 (12) ◽

pp. 4069-4074 ◽

Cited By ~ 54

Author(s):

Paul D. Adeney ◽

Willem J. Bouma ◽

Leo Radom ◽

William R. Rodwell

Keyword(s):

Theoretical Study ◽

Hydrogen Shifts ◽

Intramolecular Hydrogen ◽

Intramolecular Hydrogen Shifts

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ChemInform Abstract: NITROSOMETHANE AND ITS NITRONE AND OXIME ISOMERS. A THEORETICAL STUDY OF 1,2- AND 1,3-INTRAMOLECULAR HYDROGEN SHIFTS

Chemischer Informationsdienst ◽

10.1002/chin.198036056 ◽

1980 ◽

Vol 11 (36) ◽

Author(s):

P. D. ADENEY ◽

W. J. BOUMA ◽

L. RADOM ◽

W. R. RODWELL

Keyword(s):

Theoretical Study ◽

Hydrogen Shifts ◽

Intramolecular Hydrogen ◽

Intramolecular Hydrogen Shifts

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Azo-hydrazo conversion via [1,5]-hydrogen shifts. A combined experimental and theoretical study

Tetrahedron ◽

10.1016/j.tet.2012.06.013 ◽

2012 ◽

Vol 68 (34) ◽

pp. 6902-6907 ◽

Cited By ~ 5

Author(s):

Edikarlos M. Brasil ◽

Rosivaldo S. Borges ◽

Oscar A.S. Romero ◽

Claudio N. Alves ◽

Jose A. Sáez ◽

...

Keyword(s):

Theoretical Study ◽

Hydrogen Shifts

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ChemInform Abstract: ABSENCE OF AN ENERGETICALLY VIABLE PATHWAY FOR TRIPLET 1,2 HYDROGEN SHIFTS. A THEORETICAL STUDY OF THE VINYLIDENE-ACETYLENE ISOMERIZATION

Chemischer Informationsdienst ◽

10.1002/chin.197911121 ◽

1979 ◽

Vol 10 (11) ◽

Author(s):

M. P. CONRAD ◽

H. F. III SCHAEFER

Keyword(s):

Theoretical Study ◽

Hydrogen Shifts

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The effect of cardiac output changes on end-expired volatile anaesthetic concentrations - a theoretical study

Anaesthesia ◽

10.1046/j.1365-2044.2001.02212.x ◽

2001 ◽

Vol 56 (11) ◽

pp. 1034-1040 ◽

Cited By ~ 11

Author(s):

R. R. Kennedy ◽

A. B. Baker

Keyword(s):

Cardiac Output ◽

Theoretical Study ◽

Volatile Anaesthetic

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Theoretical study of ground and excited state potential energy surfaces for the Ca + -H 2 complex

Molecular Physics ◽

10.1080/002689700162414 ◽

2000 ◽

Vol 98 (7) ◽

pp. 419-427 ◽

Cited By ~ 1

Author(s):

E. Czuchaj, M. Krosnicki, H. Stoll

Keyword(s):

Excited State ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Theoretical Study ◽

State Potential ◽

Energy Surfaces

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RESEARCH NOTE Theoretical study of the CH3 + NS and related reactions: mechanism of HCN formation

Molecular Physics ◽

10.1080/002689799164261 ◽

1999 ◽

Vol 96 (12) ◽

pp. 1817-1822

Author(s):

TRUNG NGOC LE, LOC THANH NGUYEN, MINH THO

Keyword(s):

Theoretical Study ◽

Research Note ◽

Reactions Mechanism

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Molecular Ordering of a Nematogen at Phase Transition Temperature - A Theoretical Study

Phase Transitions ◽

10.1080/01411590290008352a ◽

2002 ◽

Vol 75 (4-5) ◽

pp. 413-421

Author(s):

Durga Prasad Ojha ◽

Devesh Kumar ◽

V.G.K.M. Pisipati

Keyword(s):

Phase Transition ◽

Transition Temperature ◽

Phase Transition Temperature ◽

Theoretical Study ◽

Molecular Ordering

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Theoretical study of C60O2 molecular properties

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)04855-5 ◽

1997 ◽

Vol 392 (1) ◽

pp. 217-221 ◽

Cited By ~ 1

Author(s):

S Zhenfeng

Keyword(s):

Theoretical Study ◽

Molecular Properties

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