Ab Initio and DFT Computational Study of Myristinin A and a Structurally Related Molecule

2020 ◽  
pp. 205-232
Author(s):  
Neani Tshilande ◽  
Liliana Mammino
Keyword(s):  
Ab Initio ◽  
Computational Study ◽  
Related Molecule ◽  
Ab Initio And Dft

scholarly journals Density Functional Theory and Complete Basis Set Ab Initio Computational Study of Five-, Six-, Seven- and Eight-hydrogen Coordinated Carbon Cations

1999 ◽  
Vol 23 (8) ◽  
pp. 502-503
Author(s):  
Branko S. Jursic
Keyword(s):  
Density Functional Theory ◽  
Ab Initio ◽  
Density Functional ◽  
Computational Study ◽  
Basis Set ◽  
Functional Theory ◽  
Complete Basis ◽  
Complete Basis Set ◽  
High Level

High level ab initio and density functional theory studies are performed on highly protonated methane species.

Ab initio and DFT investigations on the stereochemistry of ring opening of episulfides

2006 ◽  
Vol 763 (1-3) ◽  
pp. 1-5 ◽  
Author(s):  
Anbarasan Kalaiselvan ◽  
Ponnambalam Venuvanalingam
Keyword(s):  
Ab Initio ◽  
Ring Opening ◽  
Ab Initio And Dft

Ab Initio Computational Study of the Allenyl Cope Rearrangement ofsyn-7-Allenylnorbornene

1999 ◽  
Vol 121 (51) ◽  
pp. 12029-12034 ◽  
Author(s):  
James A. Duncan ◽  
Joseph K. Azar ◽  
J. Callan Beathe ◽  
Scott R. Kennedy ◽  
Carolyn M. Wulf
Keyword(s):  
Ab Initio ◽  
Computational Study ◽  
Cope Rearrangement

Ab initio and DFT studies on tautomerism of indazole in gaseous and aqueous phases

2004 ◽  
Vol 686 (1-3) ◽  
pp. 83-89 ◽  
Author(s):  
K. Anandan ◽  
P. Kolandaivel ◽  
R. Kumaresan
Keyword(s):  
Ab Initio ◽  
Dft Studies ◽  
Ab Initio And Dft

Ab initio and DFT theory studies of interaction of thymine with formaldehyde

2008 ◽  
Vol 19 (5) ◽  
pp. 843-847 ◽  
Author(s):  
Cheng Yang ◽  
Haijun Wang
Keyword(s):  
Ab Initio ◽  
Dft Theory ◽  
Ab Initio And Dft
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