ChemInform Abstract: FRAGMENT INTERACTION ANALYSIS IN THE FRAMEWORK OF AB INITIO UHF MO COMPUTATIONS. I. CONFORMATIONAL PREFERENCE IN THE ETHYL RADICAL

1982 ◽  
Vol 13 (41) ◽  
Author(s):  
F. BERNARDI ◽  
A. BOTTONI ◽  
J. FOSSEY
Keyword(s):  
Ab Initio ◽  
Interaction Analysis ◽  
Conformational Preference ◽  
Ethyl Radical ◽  
Fragment Interaction Analysis ◽  
Fragment Interaction

Fragment interaction analysis in the framework of ab-initio UHF-MO computations

Tetrahedron ◽  
1986 ◽  
Vol 42 (20) ◽  
pp. 5567-5580 ◽  
Author(s):  
Fernando Bernardi ◽  
Andréa Bottoni ◽  
Jacques Fossey ◽  
Jeanine Sorba
Keyword(s):  
Ab Initio ◽  
Interaction Analysis ◽  
Fragment Interaction Analysis ◽  
Fragment Interaction

Fragment interaction analysis in the framework of ab-initio UHF-MO computations

1989 ◽  
Vol 183 (3-4) ◽  
pp. 301-309 ◽  
Author(s):  
Fernando Bernardi ◽  
Andreà Bottoni ◽  
Jacques Fossey ◽  
Janine Sorba
Keyword(s):  
Ab Initio ◽  
Interaction Analysis ◽  
Fragment Interaction Analysis ◽  
Fragment Interaction

Fragment interaction analysis based on local MP2

2007 ◽  
Vol 118 (5-6) ◽  
pp. 937-945 ◽  
Author(s):  
Takeshi Ishikawa ◽  
Yuji Mochizuki ◽  
Shinji Amari ◽  
Tatsuya Nakano ◽  
Hiroaki Tokiwa ◽  
...  
Keyword(s):  
Interaction Analysis ◽  
Fragment Interaction Analysis ◽  
Fragment Interaction

An application of fragment interaction analysis based on local MP2

2008 ◽  
Vol 463 (1-3) ◽  
pp. 189-194 ◽  
Author(s):  
Takeshi Ishikawa ◽  
Yuji Mochizuki ◽  
Shinji Amari ◽  
Tatsuya Nakano ◽  
Shigenori Tanaka ◽  
...  
Keyword(s):  
Interaction Analysis ◽  
Fragment Interaction Analysis ◽  
Fragment Interaction

scholarly journals The 3s versus 3p Rydberg state photodissociation dynamics of the ethyl radical

2019 ◽  
Vol 21 (41) ◽  
pp. 23017-23025 ◽  
Author(s):  
Sonia Marggi Poullain ◽  
David V. Chicharro ◽  
Alexandre Zanchet ◽  
Luis Rubio-Lago ◽  
Alberto García-Vela ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Rydberg State ◽  
Rydberg States ◽  
Electronic Structure Calculations ◽  
Velocity Map Imaging ◽  
Ethyl Radical ◽  
Structure Calculations

Photodissociation dynamics of the ethyl radical from the 3s vs. 3p Rydberg states studied by velocity map imaging and ab initio electronic structure calculations.

Ab initio study of H photodetachment from the ethyl radical

2000 ◽  
Vol 323 (5-6) ◽  
pp. 441-447 ◽  
Author(s):  
A.S Zyubin ◽  
A.M Mebel ◽  
S.H Lin
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Ethyl Radical
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