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Ab Initio Multireference Investigation of Disjoint Diradicals: Singlet versus Triplet Ground States
Chattopadhyay, Sudip
;
Chaudhuri, R. K
;
Mahapatra, Uttam Sinha
(
John Wiley & Sons
,
2011-10
)
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
(
American Chemical Society
,
2017-02-23
)
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
(
Taylor & Francis
,
2014-12
)
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
(
American Physical Society
,
2011-10
)
Prediction of electronic structure of organic radicaloid anions using efficient, economical multireference gradient approach
Chattopadhyay, Sudip
;
Chaudhuri, R. K
;
Freed, Karl F
(
Royal Society of Chemistry Publishing
,
2011-04
)
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
(
American Chemical Society
,
2017-02-23
)
Multireference perturbation theory with improved virtualorbitals for radicals: More degeneracies, more problems
Ray, S. S
;
Manna, S
;
Ghosh, Anirban
;
Chaudhuri, R. K
;
Chattopadhyay, Sudip
(
WILEY-VCH Verlag GmbH & Co.
,
2019-02-15
)
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
(
American Chemical Society
,
2021-01-21
)
Geometrical structure and stability of buckminsterfullerene complexes containing mono- and poly-atomic molecules
Chaudhuri, R. K
;
Chattopadhyay, Sudip
(
Indian Academy of Sciences
,
2023-09
)
Theoretical investigations of electronic spectra of silver atom using all-electron scalar relativistic basis
Chaudhuri, R. K
;
Chattopadhyay, Sudip
(
American Institute of Physics
,
2022-12
)
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Author
Chattopadhyay, Sudip (11)
Chaudhuri, R. K (11)
Ghosh, A (2)
Ghosh, Anirban (2)
Mahapatra, Uttam Sinha (2)
Sinha Ray, Suvonil (2)
Banerjee, Debi (1)
Freed, Karl F (1)
Ghosh, Pradipta (1)
Madhulita Das (1)
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Subject
Radicals (2)
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 (1)
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Date Issued
2020 - 2023 (4)
2011 - 2019 (7)
Has File(s)
Yes (11)