Novel β-Distonic Radical Cations [CnH2n+2S]•+(n= 2, 3) Formed upon Decarbonylation of IonizedS-Alkyl Thioformates:  A Mass Spectrometric and ab Initio Study

1997 ◽  
Vol 101 (50) ◽  
pp. 9818-9823 ◽  
Author(s):  
Robert Flammang ◽  
Driss Lahem ◽  
Minh Tho Nguyen
Keyword(s):  
Ab Initio ◽  
Radical Cations ◽  
Mass Spectrometric ◽  
Ab Initio Study

Combined Mass Spectrometric and ab Initio Study of the Point Contacts between 9-Methyladenine and the Amide Group

2000 ◽  
Vol 104 (39) ◽  
pp. 8965-8971 ◽  
Author(s):  
I. Galetich ◽  
S. G. Stepanian ◽  
V. Shelkovsky ◽  
M. Kosevich ◽  
Yu. P. Blagoi ◽  
...  
Keyword(s):  
Ab Initio ◽  
Mass Spectrometric ◽  
Amide Group ◽  
Ab Initio Study ◽  
Point Contacts

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

Gas-Phase Proton Affinity of Nitric Acid and Its Esters. A Mass Spectrometric and ab Initio Study on the Existence and the Relative Stability of Two Isomers of Protonated Ethyl Nitrate

1996 ◽  
Vol 100 (41) ◽  
pp. 16522-16529 ◽  
Author(s):  
Massimiliano Aschi ◽  
Fulvio Cacace ◽  
Giulia de Petris ◽  
Federico Pepi
Keyword(s):  
Nitric Acid ◽  
Ab Initio ◽  
Gas Phase ◽  
Proton Affinity ◽  
Relative Stability ◽  
Mass Spectrometric ◽  
Ab Initio Study

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

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

Direct Observation of a Hydrogen Atom Adduct to C-5 in Uracil. A Neutralization-Reionization Mass Spectrometric and ab Initio Study

2001 ◽  
Vol 105 (36) ◽  
pp. 8339-8351 ◽  
Author(s):  
Erik A. Syrstad ◽  
Shetty Vivekananda ◽  
František Tureček
Keyword(s):  
Hydrogen Atom ◽  
Ab Initio ◽  
Direct Observation ◽  
Mass Spectrometric ◽  
Ab Initio Study

H2NO2+ ions in the gas phase: a mass spectrometric and post-SCF ab initio study

1991 ◽  
Vol 95 (24) ◽  
pp. 9782-9787 ◽  
Author(s):  
Giulia De Petris ◽  
Annito Di Marzio ◽  
Felice Grandinetti
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Mass Spectrometric ◽  
Ab Initio Study

Gas-phase ion chemistry of nitramide. A mass spectrometric and ab initio study of nitramide (H2N-NO2) and the H2N-NO2.+, [H2N-NO2]H+, and [HN-NO2]- ions

1993 ◽  
Vol 115 (26) ◽  
pp. 12398-12404 ◽  
Author(s):  
Marina Attina ◽  
Fulvio Cacace ◽  
Enrico Ciliberto ◽  
Giulia De Petris ◽  
Felice Grandinetti ◽  
...  
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Mass Spectrometric ◽  
Ab Initio Study ◽  
Ion Chemistry ◽  
Gas Phase Ion Chemistry ◽  
Gas Phase Ion

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
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