Ab initio study of the structure and reactivity of H2CO.cntdot.H2O.bul.+ and related radical cations

Elena L. Coitino; Agusti Lledos; Ramon Serra; Juan Bertran; Oscar N. Ventura

doi:10.1021/ja00073a030

Ab initio study of the structure and reactivity of H2CO.cntdot.H2O.bul.+ and related radical cations

Journal of the American Chemical Society ◽

10.1021/ja00073a030 ◽

1993 ◽

Vol 115 (20) ◽

pp. 9121-9126 ◽

Cited By ~ 18

Author(s):

Elena L. Coitino ◽

Agusti Lledos ◽

Ramon Serra ◽

Juan Bertran ◽

Oscar N. Ventura

Keyword(s):

Ab Initio ◽

Radical Cations ◽

Ab Initio Study

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Cover Feature: Ab Initio Study of the Stepwise versus Concerted Fragmentation Pathways in Microhydrated Thymine Radical Cations (Chem. Eur. J. 68/2019)

Chemistry - A European Journal ◽

10.1002/chem.201903862 ◽

2019 ◽

Vol 25 (68) ◽

pp. 15427-15427

Author(s):

Abderrahmane Semmeq ◽

Antonio Monari ◽

Michael Badawi ◽

Said Ouaskit

Keyword(s):

Ab Initio ◽

Radical Cations ◽

Ab Initio Study ◽

Fragmentation Pathways

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Ab initio study of the structure of radical cations derived from H-bonded complexes: A comparison between [H2CO · H2O]+· and [H2CO · HF]+·

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(94)03799-q ◽

1994 ◽

Vol 314 (1-2) ◽

pp. 31-38 ◽

Cited By ~ 3

Author(s):

Alberto Pereira ◽

Elena L. Coitiño ◽

Oscar N. Ventura

Keyword(s):

Ab Initio ◽

Radical Cations ◽

Ab Initio Study ◽

Bonded Complexes

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ChemInform Abstract: 1,3-Hydrogen Shifts in Olefin Radical Cations: An ab initio Study

ChemInform ◽

10.1002/chin.198808077 ◽

1988 ◽

Vol 19 (8) ◽

Author(s):

T. CLARK

Keyword(s):

Ab Initio ◽

Radical Cations ◽

Ab Initio Study ◽

Hydrogen Shifts

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Structure and dynamics of radical cations of selectively deuteriated cyclohexanes: an ESR and ab initio study

Chemical Physics Letters ◽

10.1016/s0009-2614(98)00677-0 ◽

1998 ◽

Vol 292 (1-2) ◽

pp. 110-114 ◽

Cited By ~ 12

Author(s):

Peng Wang ◽

Masaru Shiotani ◽

Sten Lunell

Keyword(s):

Ab Initio ◽

Radical Cations ◽

Ab Initio Study ◽

Structure And Dynamics

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1,3-Hydrogen shifts in olefin radical cations: an ab initio study

Journal of the American Chemical Society ◽

10.1021/ja00256a042 ◽

1987 ◽

Vol 109 (22) ◽

pp. 6838-6840 ◽

Cited By ~ 20

Author(s):

Timothy Clark

Keyword(s):

Ab Initio ◽

Radical Cations ◽

Ab Initio Study ◽

Hydrogen Shifts

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Catalysis of the ring-opening and isomerization of cyclopropane by complexation with metal radical cations: an ab initio study

Journal of the American Chemical Society ◽

10.1021/ja00053a028 ◽

1992 ◽

Vol 114 (27) ◽

pp. 10897-10902 ◽

Cited By ~ 7

Author(s):

Alexander Alex ◽

Timothy Clark

Keyword(s):

Ab Initio ◽

Ring Opening ◽

Radical Cations ◽

Ab Initio Study ◽

Metal Radical

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Ab Initio Study of the Stepwise versus Concerted Fragmentation Pathways in Microhydrated Thymine Radical Cations

Chemistry - A European Journal ◽

10.1002/chem.201902462 ◽

2019 ◽

Vol 25 (68) ◽

pp. 15525-15534 ◽

Cited By ~ 1

Author(s):

Abderrahmane Semmeq ◽

Antonio Monari ◽

Michael Badawi ◽

Said Ouaskit

Keyword(s):

Ab Initio ◽

Radical Cations ◽

Ab Initio Study ◽

Fragmentation Pathways

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Ab initio study of Σ and Π electronic states of carbonyl radical cations

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(92)87104-8 ◽

1992 ◽

Vol 253 ◽

pp. 161-166 ◽

Cited By ~ 4

Author(s):

Tatsuya Nakano ◽

Kenji Morihashi ◽

Osamu Kikichi

Keyword(s):

Ab Initio ◽

Electronic States ◽

Radical Cations ◽

Ab Initio Study ◽

Carbonyl Radical

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Ab initio study of the structure of radical cations derived from H-bonded complexes: a comparison between [H2CO.H2O]+. and [H2CO.HF]+.

10.1063/1.47691 ◽

1995 ◽

Author(s):

Alberto Pereira ◽

Elena L. Coitiño ◽

Oscar Ventura

Keyword(s):

Ab Initio ◽

Radical Cations ◽

Ab Initio Study ◽

Bonded Complexes

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Density functional and ab initio study of the ketene and methylketene radical cations

The Journal of Chemical Physics ◽

10.1063/1.477566 ◽

1998 ◽

Vol 109 (20) ◽

pp. 8953-8958 ◽

Cited By ~ 8

Author(s):

Ming-Bao Huang ◽

Zhi-Xiang Wang

Keyword(s):

Ab Initio ◽

Density Functional ◽

Radical Cations ◽

Ab Initio Study

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