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Issue Date
Title
Author(s)
2014-12
Revisiting the ‘cis-effect’ in 1,2-difluoro derivatives of ethylene and diazene using ab initio multireference methods
Banerjee, Debi
;
Ghosh, Anirban
;
Chattopadhyay, Sudip
;
Ghosh, Pradipta
;
Chaudhuri, R. K
2019-02-15
Multireference perturbation theory with improved virtualorbitals for radicals: More degeneracies, more problems
Ray, S. S
;
Manna, S
;
Ghosh, Anirban
;
Chaudhuri, R. K
;
Chattopadhyay, Sudip
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Author
2
Chattopadhyay, Sudip
2
Chaudhuri, R. K
1
Banerjee, Debi
1
Ghosh, Pradipta
1
Manna, S
1
Ray, S. S
Subject
1
1,2-Difluorodiazene
1
1,2-Difluoroethylene
1
Cis–trans energy differences
1
Coupled Cluster Calculations
1
Energy gaps
1
Improved virtual orbitals
1
Multireference perturbation theory
1
Optimised Structures and Energies
1
Radicals
1
Statespecific method
.
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Date issued
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2014
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2019
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