On the Nature of the Agostic Bond between Metal Centers and β-Hydrogen Atoms in Alkyl Complexes. An Analysis Based on the Extended Transition State Method and the Natural Orbitals for Chemical Valence Scheme (ETS-NOCV)

2009 ◽  
Vol 28 (13) ◽  
pp. 3727-3733 ◽  
Author(s):  
Mariusz P. Mitoraj ◽  
Artur Michalak ◽  
Tom Ziegler
Keyword(s):  
Transition State ◽  
Hydrogen Atoms ◽  
Natural Orbitals ◽  
Metal Centers ◽  
Alkyl Complexes ◽  
State Method

Multiple Boron−Boron Bonds in Neutral Molecules: An Insight from the Extended Transition State Method and the Natural Orbitals for Chemical Valence Scheme

2011 ◽  
Vol 50 (6) ◽  
pp. 2168-2174 ◽  
Author(s):  
Mariusz P. Mitoraj ◽  
Artur Michalak
Keyword(s):  
Transition State ◽  
Natural Orbitals ◽  
State Method

Competitive Reaction Rates of Hydrogen Atoms with HCl and Cl2. Entropy Considerations of the HCl2 Transition State

1961 ◽  
Vol 34 (5) ◽  
pp. 1494-1498 ◽  
Author(s):  
Fritz S. Klein ◽  
Max Wolfsberg
Keyword(s):  
Transition State ◽  
Reaction Rates ◽  
Competitive Reaction ◽  
Hydrogen Atoms

Application of a numerical-basis-state method to strong-field excitation and ionization of hydrogen atoms

2012 ◽  
Vol 86 (1) ◽  
Author(s):  
Shaohao Chen ◽  
Xiang Gao ◽  
Jiaming Li ◽  
Andreas Becker ◽  
Agnieszka Jaroń-Becker
Keyword(s):  
Strong Field ◽  
Hydrogen Atoms ◽  
State Method ◽  
Field Excitation
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