Ministry of Education
Shamasundar K. R
VIDWAN ID: 89459

Dr Shamasundar K. R

Male Doctor of Philosophy
Assistant Professor | Department of Chemical Sciences
Indian Institute of Science Education & Research (IISER), Mohali
Punjab
Expertise: Applied Chemistry
Scopus 6506427714
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33 Publications
0 Projects
1098 Scopus Citations
1099 CrossRef
15 Years 6 Months Total Experience
Publications
33 Total
Articles
31
Chapters
1
Proceedings
1
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Scopus Scopus
1,098 Citations
17 h-index
CrossRef CrossRef
1,099 Citations
17 h-index
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Personal Details

Doctor of Philosophy
N/A
Assistant Professor
Mar 2011 – Present
Indian Institute of Science Education & Research (IISER), Mohali | Department of Chemical Sciences
Chemical Sciences
Applied Chemistry

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Scholarly Publications

Chlorofluoroamines: Ab initio and DFT studies on their structure, enthalpies of formation, and unimolecular reaction pathways

Journal Article
The Journal of Physical Chemistry A. Year: 2001. Volume: 105 , Issue: 37 , Pages: 8533-8540 .
Authors: K. R. Shamasundar; E. Arunan
DOI 10.1021/jp011331g Crossref Crossref: 13 Scopus Scopus: 12

A constrained variational approach for energy derivatives in Fock-space multireference coupled-cluster theory

Journal Article
The Journal of Chemical Physics. Year: 2004. Volume: 120 , Issue: 14 , Pages: 6381-6398 .
Authors: K. R. Shamasundar; Subashini Asokan; Sourav Pal
DOI 10.1063/1.1652436 Crossref Crossref: 31 Scopus Scopus: 33

Higher energy derivatives in Hilbert Space Multi-Reference Coupled ClusterTheory: A constrained variational approach

Open Access
Journal Article
International Journal of Molecular Sciences. Year: 2002. Volume: 3 , Issue: 6 , Pages: 710-732 .
Authors: K. R. Shamasundar; Sourav Pal
DOI 10.3390/i3060710 Crossref Crossref: 13 Scopus Scopus: 13

Erratum: Development of an efficient linear response approach to the Hilbert space multireference coupled-cluster theory (J. Chem. Phys. (2001) 114 (1981))

Open Access
Erratum
The Journal of Chemical Physics. Year: 2001. Volume: 115 , Issue: 4 , Pages: 1979 .
Authors: K. R. Shamasundar; Sourav Pal
DOI 10.1063/1.1383588 Crossref Crossref: 18 Scopus Scopus: 21

Development of an efficient linear response approach to the Hubert space multi-reference coupled-cluster theory

Journal Article
The Journal of Chemical Physics. Year: 2001. Volume: 114 , Issue: 5 , Pages: 1981-1988 .
Authors: K. R. Shamasundar; Sourav Pal
DOI 10.1063/1.1336565 Crossref Crossref: 28 Scopus Scopus: 29

A case study of state-specific and state-averaged Brueckner equation-of-motion coupled-cluster theory: The ionic-covalent avoided crossing in lithium fluoride

Journal Article
Year: 2005. Volume: 70 , Issue: 8 , Pages: 1082-1108 .
Authors: Marcel Nooijen; K. R. Shamasundar
DOI 10.1135/cccc20051082 Crossref Crossref: 9 Scopus Scopus: 9

Reflections on size-extensivity, size-consistency and generalized extensivity in many-body theory

Journal Article
Molecular Physics. Year: 2005. Volume: 103 , Issue: 15-16 , Pages: 2277-2298 .
Authors: Marcel Nooijen *; K. R. Shamasundar; Debashis Mukherjee
DOI 10.1080/00268970500083952 Crossref Crossref: 104 Scopus Scopus: 104

Application of double ionization state-specific equation of motion coupled cluster method to organic diradicals

Journal Article
The Journal of Physical Chemistry A. Year: 2008. Volume: 112 , Issue: 46 , Pages: 11895-11902 .
Authors: Ondřej Demel; K. R. Shamasundar; Liguo Kong; Marcel Nooijen
DOI 10.1021/jp800577q Crossref Crossref: 79 Scopus Scopus: 78
Showing 1 to 8 of 33 publications