Searching the Conformational Space of Cyclic Molecules:  A Molecular Mechanics and Density Functional Theory Study of 9-Crown-3

1999 ◽  
Vol 103 (50) ◽  
pp. 10993-10997 ◽  
Author(s):  
B. Jagannadh ◽  
Jagarlapudi A. R. P. Sarma
Keyword(s):  
Density Functional Theory ◽  
Molecular Mechanics ◽  
Density Functional ◽  
Conformational Space ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Cyclic Molecules

Exploration of the Full Conformational Space ofN-Acetyl-l-glutamine-N-methylamide. An ab Initio and Density Functional Theory Study

2003 ◽  
Vol 107 (25) ◽  
pp. 5079-5091 ◽  
Author(s):  
Marco W. Klipfel ◽  
Miguel A. Zamora ◽  
Ana M. Rodriguez ◽  
Noemí G. Fidanza ◽  
Ricardo D. Enriz ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Ab Initio ◽  
Density Functional ◽  
Conformational Space ◽  
Density Functional Theory Study ◽  
Functional Theory
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