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K

K. R. Shamasundar

indian institute of science education & research (iiser) - mohali

17H指数
50论文数
1.1K被引数
收录论文 13
发表时间
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Toward an efficient implementation of internally contracted coupled-cluster methods
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-04-03
err4
PREAI
errBlack, Joshua A.; Waigum, Alexander; Adam, Robert G.; Shamasundar, K. R.; Koehn, Andreas
err分享
err收藏
Beyond Born-Oppenheimer constructed diabatic potential energy surfaces for F + H2 reaction
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-11-02
err14
PREAI
errMukherjee, Bijit; Naskar, Koushik; Mukherjee, Soumya; Ravi, Satyam; Shamasundar, K. R.; Mukhopadhyay, Debasis; Adhikari, Satrajit
err分享
err收藏
Aluminum containing molecular bowls and pyridinophanes: use of pyridine modules to access different molecular topologies
errDALTON TRANSACTIONS
IF3.3
err2019-01-01
err2
PREAI
errBawari, Deependra; Negi, Chandrakala; Porwal, Vishal Kumar; Ravi, Satyam; Shamasundar, K. R.; Singh, Sanjay
err分享
err收藏
Electronically Unsaturated Three-Coordinate Aluminum Hydride and Organoaluminum Cations
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2018-03-23
err43
PREAI
errPrashanth, Billa; Bhandari, Mamta; Ravi, Satyam; Shamasundar, K. R.; Singh, Sanjay
err分享
err收藏
Reactivity of a dihydroboron species: synthesis of a hydroborenium complex and an expedient entry into stable thioxo- and selenoxo-boranes
errDALTON TRANSACTIONS
IF3.3
err2015-01-01
err19
PREAI
errJaiswal, Kuldeep; Prashanth, Billa; Ravi, Satyam; Shamasundar, K. R.; Singh, Sanjay
err分享
err收藏
Communication: Multireference equation of motion coupled cluster: A transform and diagonalize approach to electronic structure
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2014-02-28
err49
errOAAI
errNooijen, Marcel; Demel, Ondrej; Datta, Dipayan; Kong, Liguo; Shamasundar, K. R.; Lotrich, V.; Huntington, Lee M.; Neese, Frank
err分享
err收藏
Charge symmetric dissociation of doubly ionized N2 and CO molecules
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2014-01-21
err29
PREAI
errPandey, A.; Bapat, B.; Shamasundar, K. R.
err分享
err收藏
A new internally contracted multi-reference configuration interaction method一种新的内部收缩多参考配置交互方法
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2011-08-01
err300
PREAI
errShamasundar, K. R.; Knizia, Gerald; Werner, Hans-Joachim
err分享
err收藏
Cumulant decomposition of reduced density matrices, multireference normal ordering, and Wicks theorem: A spin-free approach
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2009-11-04
err38
PREAI
errShamasundar, K. R.
err分享
err收藏
State specific equation of motion coupled cluster method in general active space一般活动空间中运动耦合聚类方法的状态特定方程
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2009-03-17
err59
PREAI
errKong, Liguo; Shamasundar, K. R.; Demel, Ondrej; Nooijen, Marcel
err分享
err收藏
A constrained variational approach for energy derivatives in Fock-space multireference coupled-cluster theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2004-04-08
err35
PREAI
errShamasundar, KR; Asokan, S; Pal, S
err分享
err收藏
Development of an efficient linear response approach to the Hilbert space multireference coupled-cluster theory (vol 114, pg 1981, 2001)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2001-07-22
err18
errOAAI
errShamasundar, KR; Pal, S
err分享
err收藏
Development of an efficient linear response approach to the Hilbert space multi-reference coupled-cluster theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2001-02-01
err31
PREAI
errShamasundar, KR; Pal, S
err分享
err收藏

研究方向

暂时未获取到该数据
合作学者
合作期刊
F
Frank Neese
H 指数: 141 · 论文数: 979
M
Marcel Nooijen
H 指数: 54 · 论文数: 139
S
Sourav Pal
H 指数: 39 · 论文数: 280
G
Gerald Knizia
H 指数: 32 · 论文数: 60
S
Satrajit Adhikari
H 指数: 30 · 论文数: 174
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