Guided-Ion-Beam and ab Initio Study of the Li+, K+, and Rb+Association Reactions with Gas-Phase Butanone and Cyclohexanone in Their Ground Electronic States†

2009 ◽  
Vol 113 (52) ◽  
pp. 14766-14773 ◽  
Author(s):  
J. M. Lucas ◽  
J. de Andrés ◽  
E. López ◽  
M. Albertí ◽  
J. M. Bofill ◽  
...  
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Ion Beam ◽  
Electronic States ◽  
Ab Initio Study ◽  
Guided Ion Beam

scholarly journals The role of Li+ ions in the gas phase dehydrohalogenation and dehydration reactions of i-C3H7Br and i-C3H7OH molecules studied by radiofrequency-guided ion beam techniques and ab initio methods

2017 ◽  
Vol 146 (13) ◽  
pp. 134301
Author(s):  
E. López ◽  
J. M. Lucas ◽  
J. de Andrés ◽  
M. Albertí ◽  
J. M. Bofill ◽  
...  
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Ion Beam ◽  
Ab Initio Methods ◽  
Guided Ion Beam ◽  
Dehydration Reactions

Reactive processes in gas phase Na+-iso-C3H7Cl collisions: experimental guided-ion-beam and ab initio studies of the reactions on the ground singlet potential surface of the system up to 12.00 eV

2011 ◽  
Vol 13 (41) ◽  
pp. 18581 ◽  
Author(s):  
J. Aguilar ◽  
J. M. Lucas ◽  
J. de Andrés ◽  
M. Albertí ◽  
D. Bassi ◽  
...  
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Potential Surface ◽  
Ion Beam ◽  
Guided Ion Beam ◽  
Reactive Processes

Ab Initio Study of the Carbon-to-Carbon Identity Proton Transfer from Ketene to Its Anion in the Gas Phase

2001 ◽  
Vol 123 (10) ◽  
pp. 2430-2431 ◽  
Author(s):  
Claude F. Bernasconi ◽  
Philip J. Wenzel
Keyword(s):  
Proton Transfer ◽  
Ab Initio ◽  
Gas Phase ◽  
Ab Initio Study

Gas Phase and Aqueous Thermochemistry of Hydrazine and Related Radicals and the Energy Profiles of Reactions with H•and OH•:  An ab Initio Study

1997 ◽  
Vol 101 (26) ◽  
pp. 4761-4769 ◽  
Author(s):  
D. A. Armstrong ◽  
D. Yu ◽  
A. Rauk
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Ab Initio Study ◽  
Energy Profiles

Gas phase conformational basicity of carvedilol Fragment B, 2(S)-1-(ethylamonium)propane-2-ol: An ab initio study on a protonophoretic of oxidative phosphorylation uncoupling

2003 ◽  
Vol 631 (1-3) ◽  
pp. 251-270 ◽  
Author(s):  
David R.P. Almeida ◽  
Donna M. Gasparro ◽  
Luca F. Pisterzi ◽  
Ladislaus L. Torday ◽  
Andras Varro ◽  
...  
Keyword(s):  
Oxidative Phosphorylation ◽  
Ab Initio ◽  
Gas Phase ◽  
Ab Initio Study

Ab initio study of the low-lying electronic states of the C2− anion

2016 ◽  
Vol 1079 ◽  
pp. 57-63 ◽  
Author(s):  
Weixin Shi ◽  
Chuanliang Li ◽  
Huiyan Meng ◽  
Jilin Wei ◽  
Lunhua Deng ◽  
...  
Keyword(s):  
Ab Initio ◽  
Electronic States ◽  
Ab Initio Study

scholarly journals Ab Initio Study of Ground-state CS Photodissociation via Highly Excited Electronic States

2019 ◽  
Vol 882 (2) ◽  
pp. 86 ◽  
Author(s):  
Zhongxing Xu ◽  
Nan Luo ◽  
S. R. Federman ◽  
William M. Jackson ◽  
Cheuk-Yiu Ng ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ground State ◽  
Electronic States ◽  
Ab Initio Study ◽  
Excited Electronic States

Ab initio study of CN− impurity centers in alkali halides: Lattice stabilization of excited electronic states

1989 ◽  
Vol 91 (9) ◽  
pp. 5476-5488 ◽  
Author(s):  
Joel Tellinghuisen ◽  
Carl S. Ewig
Keyword(s):  
Ab Initio ◽  
Electronic States ◽  
Alkali Halides ◽  
Ab Initio Study ◽  
Excited Electronic States ◽  
Impurity Centers
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