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Issue Date
Title
Author(s)
2010
Comparison of Aromatic NH ...pi, OH...pi, and CH ...pi Interactions of Alanine using MP2, CCSD, and DFT methods
Neetha, M
;
Vijayalakshmi, K P
;
Koga, N
;
Suresh, C H
2008
C-H bond activation through sigma-bond metathesis and agostic interactions: Deactivation pathway of a Grubbs second-generation catalyst
Jomon Mathew
;
Koga, N
;
Suresh, C H
2008
Role of structural water molecule in HIV protease-inhibitor complexes: A QM/MM study
Suresh, C H
;
Mary Vargheese, A
;
Vijayalakshmi, K P
;
Neeta Mohan
;
Koga, N
2006
Aromaticity-driven rupture of CN triple and CC double bonds: Mechanism of the reaction between Cp2Ti(C4H4) and RCN
Suresh, C H
;
Koga, N
2006
An isodesmic reaction based approach to aromaticity of a large spectrum of molecules
Suresh, C H
;
Koga, N
Discover
Author
2
Vijayalakshmi, K P
1
Jomon Mathew
1
Mary Vargheese, A
1
Neeta Mohan
1
Neetha, M
Subject
1
Acetylenes
1
Alanine-benzene complex
1
Antiaromaticity
1
Benzenoid hydrocarbons
1
Carbon carbon bond
1
CH-pi interaction
1
Chemical shifts
1
Effective core potentials
1
Electron delocalization
1
Heterocyclic carbene complexes
.
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