Vacuum-Ultraviolet Photoionization Measurement and ab Initio Calculation of the Ionization Energy of Gas-Phase SiO2

2009 ◽  
Vol 113 (7) ◽  
pp. 1225-1230 ◽  
Author(s):  
Oleg Kostko ◽  
Musahid Ahmed ◽  
Ricardo B. Metz
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Ionization Energy ◽  
Ab Initio Calculation ◽  
Vacuum Ultraviolet

Ab initio calculation of the thermochemical data on the H3O++H2O=H5O+2 gas‐phase clustering

1984 ◽  
Vol 80 (4) ◽  
pp. 1576-1578 ◽  
Author(s):  
Shinichi Yamabe ◽  
Tsutomu Minato ◽  
Kimihiko Hirao
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Ab Initio Calculation ◽  
Thermochemical Data

GAS-PHASE REACTIONS OF V+ AND VO+ WITH METHANOL

2005 ◽  
Vol 19 (15n17) ◽  
pp. 2693-2698 ◽  
Author(s):  
YALI CAO ◽  
XIANG ZHAO ◽  
ZICHAO TANG ◽  
BIN XIN ◽  
SHAOXIANG XIONG
Keyword(s):  
Reaction Time ◽  
Dft Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Reaction Mechanisms ◽  
Ab Initio Calculation ◽  
Gas Phase Reactions ◽  
Geometrical Structures ◽  
Reaction Processes ◽  
Ft Icr

The reactions of V + and VO + with methanol have been investigated experimentally by FT-ICR mass spectrometer and theoretically by ab initio calculation. Both V + and VO + exhibit impressive reactivity with methanol. The products distribution of different reaction time indicate that in whole reaction processes methanol is adsorbed one by one, and no more than four methanol molecules can be solved in the first shell of central ion V +. The reaction mechanisms have been proposed, and the possible geometrical structures of products are also analyzed by DFT calculations.

The ab-initio calculation of the gas phase ion mobility of Na+ in N2

1999 ◽  
Vol 248 (1) ◽  
pp. 127-135 ◽  
Author(s):  
Alexandra E Thompson ◽  
Robert G.A.R Maclagan ◽  
Peter W Harland
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Ion Mobility ◽  
Ab Initio Calculation ◽  
Gas Phase Ion

Ab initio calculation of gas-phase ion mobilities of third period atomic ions in helium

1995 ◽  
Vol 91 (24) ◽  
pp. 4355 ◽  
Author(s):  
Stephen T. Grice ◽  
Peter W. Harland ◽  
Robert G. A. R. Maclagan ◽  
Alexandra E. Thompson
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Ab Initio Calculation ◽  
Atomic Ions ◽  
Gas Phase Ion

scholarly journals A VUV Photoionization and Ab Initio Determination of the Ionization Energy of a Gas-Phase Sugar (Deoxyribose)

2011 ◽  
Vol 3 (1) ◽  
pp. 97-101 ◽  
Author(s):  
Debashree Ghosh ◽  
Amir Golan ◽  
Lynelle K. Takahashi ◽  
Anna I. Krylov ◽  
Musahid Ahmed
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Ionization Energy ◽  
Vuv Photoionization

Ab Initio Ionization Energy Thresholds of DNA and RNA Bases in Gas Phase and in Aqueous Solution

2004 ◽  
Vol 108 (30) ◽  
pp. 6373-6377 ◽  
Author(s):  
Carlos E. Crespo-Hernández ◽  
Rafael Arce ◽  
Yasuyuki Ishikawa ◽  
Leonid Gorb ◽  
Jerzy Leszczynski ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Ab Initio ◽  
Gas Phase ◽  
Ionization Energy ◽  
Dna And Rna ◽  
Rna Bases ◽  
Energy Thresholds
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