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Issue Date
Title
Author(s)
25-Jun-2015
Computational Study of Structure, Stability, and Energetics of Model Molecular Complexes Involving C‒H···F Hydrogen Bonds
Maheshwari, Sudeep
15-Jul-2015
Algorithm to generate guess structures for transition state optimization and computational study of NHeterocyclic Carbene catalyzed aerobic oxidation of aromatic aldehydes with phenyl boronic acid
Chawla, Rupali
;
Balanarayan, P.
;
Anand, R. Vijaya
8-Jul-2015
On Substituent Effects in Hydrogen Tunneling Reactions of Hydroxycarbenes: A Computational and Phenomenological Approach
Paliwal, Prerna
;
Balanarayan, P.
15-Jul-2015
Computational Study of C-H·· ·F Hydrogen Bonds in Aromatic System
Raj, Vipin T.
;
Choudhury, Angshuman Roy
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Author
1
Chawla, Rupali
1
Maheshwari, Sudeep
1
Paliwal, Prerna
1
Raj, Vipin T.
Subject
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Atoms
1
Hydrogen
1
Hydrogen Bonds
1
Hydroxycarbenes
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Organic reaction
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Quantum Tunneling