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

1993 ◽  
Vol 115 (20) ◽  
pp. 9121-9126 ◽  
Author(s):  
Elena L. Coitino ◽  
Agusti Lledos ◽  
Ramon Serra ◽  
Juan Bertran ◽  
Oscar N. Ventura
Keyword(s):  
Ab Initio ◽  
Radical Cations ◽  
Ab Initio Study

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

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

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

1994 ◽  
Vol 314 (1-2) ◽  
pp. 31-38 ◽  
Author(s):  
Alberto Pereira ◽  
Elena L. Coitiño ◽  
Oscar N. Ventura
Keyword(s):  
Ab Initio ◽  
Radical Cations ◽  
Ab Initio Study ◽  
Bonded Complexes

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

ChemInform ◽  
1988 ◽  
Vol 19 (8) ◽  
Author(s):  
T. CLARK
Keyword(s):  
Ab Initio ◽  
Radical Cations ◽  
Ab Initio Study ◽  
Hydrogen Shifts

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

1998 ◽  
Vol 292 (1-2) ◽  
pp. 110-114 ◽  
Author(s):  
Peng Wang ◽  
Masaru Shiotani ◽  
Sten Lunell
Keyword(s):  
Ab Initio ◽  
Radical Cations ◽  
Ab Initio Study ◽  
Structure And Dynamics

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

1987 ◽  
Vol 109 (22) ◽  
pp. 6838-6840 ◽  
Author(s):  
Timothy Clark
Keyword(s):  
Ab Initio ◽  
Radical Cations ◽  
Ab Initio Study ◽  
Hydrogen Shifts

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

1992 ◽  
Vol 114 (27) ◽  
pp. 10897-10902 ◽  
Author(s):  
Alexander Alex ◽  
Timothy Clark
Keyword(s):  
Ab Initio ◽  
Ring Opening ◽  
Radical Cations ◽  
Ab Initio Study ◽  
Metal Radical

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

2019 ◽  
Vol 25 (68) ◽  
pp. 15525-15534 ◽  
Author(s):  
Abderrahmane Semmeq ◽  
Antonio Monari ◽  
Michael Badawi ◽  
Said Ouaskit
Keyword(s):  
Ab Initio ◽  
Radical Cations ◽  
Ab Initio Study ◽  
Fragmentation Pathways

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

1992 ◽  
Vol 253 ◽  
pp. 161-166 ◽  
Author(s):  
Tatsuya Nakano ◽  
Kenji Morihashi ◽  
Osamu Kikichi
Keyword(s):  
Ab Initio ◽  
Electronic States ◽  
Radical Cations ◽  
Ab Initio Study ◽  
Carbonyl Radical

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

1995 ◽  
Author(s):  
Alberto Pereira ◽  
Elena L. Coitiño ◽  
Oscar Ventura
Keyword(s):  
Ab Initio ◽  
Radical Cations ◽  
Ab Initio Study ◽  
Bonded Complexes

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

1998 ◽  
Vol 109 (20) ◽  
pp. 8953-8958 ◽  
Author(s):  
Ming-Bao Huang ◽  
Zhi-Xiang Wang
Keyword(s):  
Ab Initio ◽  
Density Functional ◽  
Radical Cations ◽  
Ab Initio Study
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