A third-order rotational isomeric state model for poly(oxyethylene) based upon ab initio electronic structure analyses of model molecules

1993 ◽  
Vol 26 (19) ◽  
pp. 5213-5218 ◽  
Author(s):  
Grant D. Smith ◽  
Do Y. Yoon ◽  
Richard L. Jaffe
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Isomeric State ◽  
State Model ◽  
Third Order ◽  
Rotational Isomeric State ◽  
Ab Initio Electronic Structure

Ab initio electronic structure of the progestogen norethisterone and its 5α-derivatives

2002 ◽  
Vol 82 (4-5) ◽  
pp. 385-391 ◽  
Author(s):  
Carlos Kubli-Garfias ◽  
Ricardo Vázquez ◽  
Austin J Cooney ◽  
Fernando Larrea
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Ab Initio Electronic Structure
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