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Results 1-10 of 11 (Search time: 0.006 seconds).
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Issue Date
Title
Author(s)
2011-10
Ab Initio Multireference Investigation of Disjoint Diradicals: Singlet versus Triplet Ground States
Chattopadhyay, Sudip
;
Chaudhuri, R. K
;
Mahapatra, Uttam Sinha
2017-02-23
Four-component relativistic state-specific multireference perturbation theory with a simplified treatment of static correlation
Ghosh, A
;
Sinha Ray, Suvonil
;
Chaudhuri, R. K
;
Chattopadhyay, Sudip
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
2011-10
Fock-space multireference coupled-cluster calculations of the hyperfine structure of isoelectronic 33S− and 35,37Cl
Madhulita Das
;
Chaudhuri, R. K
;
Chattopadhyay, Sudip
;
Mahapatra, Uttam Sinha
2011-04
Prediction of electronic structure of organic radicaloid anions using efficient, economical multireference gradient approach
Chattopadhyay, Sudip
;
Chaudhuri, R. K
;
Freed, Karl F
2017-02-23
Four-component relativistic state-specific multireference perturbation theory with a simplified treatment of static correlation
Ghosh, A
;
Sinha Ray, Suvonil
;
Chaudhuri, R. K
;
Chattopadhyay, Sudip
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
2021-01-21
Description of the methylene amidogene radical and its anion with an economical treatment of correlation effects using density functional theory orbitals
Chaudhuri, R. K
;
Chattopadhyay, Sudip
2023-09
Geometrical structure and stability of buckminsterfullerene complexes containing mono- and poly-atomic molecules
Chaudhuri, R. K
;
Chattopadhyay, Sudip
2022-12
Theoretical investigations of electronic spectra of silver atom using all-electron scalar relativistic basis
Chaudhuri, R. K
;
Chattopadhyay, Sudip
Discover
Author
11
Chaudhuri, R. K
2
Ghosh, A
2
Ghosh, Anirban
2
Mahapatra, Uttam Sinha
2
Sinha Ray, Suvonil
1
Banerjee, Debi
1
Freed, Karl F
1
Ghosh, Pradipta
1
Madhulita Das
1
Manna, S
.
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Subject
2
Radicals
1
1,2-Difluorodiazene
1
1,2-Difluoroethylene
1
2nd Order Perterbation-Theory
1
Ab initio calculations
1
CCSD
1
CH4
1
Chemical calculations
1
Cis–trans energy differences
1
Computational chemistry
.
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Date issued
4
2020 - 2023
7
2011 - 2019
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