Shridhar R Gadre
VIDWAN ID: 52331

Dr Shridhar R Gadre

Male Doctor of Philosophy
Retired Professor | Department of Chemistry
Indian Institute of Technology, Kanpur (2010)
Uttar Pradesh
Expertise: Physical Chemistry
95 Publications
0 Projects
2758 Scopus Citations
2760 CrossRef
1 Year Total Experience
Publications
95 Total
Articles
90
Chapters
4
Proceedings
1
Activity

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Scopus Scopus
2,758 Citations
29 h-index
CrossRef CrossRef
2,760 Citations
29 h-index
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Professional Recognition

Shanti Swarup Bhatnagar award in Chemical Sciences
1993
Council of Scientific and Industrial Research (CSIR), Government of India
J C Bose National Fellowship
Fellowship
Indian National Science Academy
Fellowship
National Academy of Sciences

Community & Membership

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Personal Details

Doctor of Philosophy
1978
N/A
Retired Professor
Jan 2010 – —
Indian Institute of Technology, Kanpur | Department of Chemistry
Chemical Sciences
Physical Chemistry

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Scholarly Work

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Scholarly Publications

WebMTA: A web-interface for ab initio geometry optimization of large molecules using molecular tailoring approach

Open Access
Journal Article
JOURNAL OF COMPUTATIONAL CHEMISTRY. Year: 2009. Volume: 30 , Issue: 7 , Pages: 1167-1173 .
Authors: Ritwik Kavathekar; Subodh Khire; V. Ganesh; Anuja P. Rahalkar; Shridhar R. Gadre

Ab Initio Study on (CO2)n clusters via electrostatics- and molecular tailoring- based algorithm

Open Access
Journal Article
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. Year: 2009. Volume: 109 , Issue: 10 , Pages: 2238-2247 .
Authors: K. V. Jovan Jose; Shridhar R. Gadre

Estimation of N-H⋯O=C Intramolecular hydrogen bond energy in polypeptides

Journal Article
The Journal of Physical Chemistry A. Year: 2009. Volume: 113 , Issue: 27 , Pages: 7927-7932 .
Authors: Milind M. Deshmukh; Shridhar R. Gadre

Stepwise hydration of protonated carbonic acid: A theoretical study

Journal Article
The Journal of Physical Chemistry A. Year: 2009. Volume: 113 , Issue: 44 , Pages: 12260-12275 .
Authors: M. Prakash; V. Subramanian; Shridhar R. Gadre

A Density Functional Investigation on the Structures, Energetics, and Properties of Sodium Clusters through Electrostatic Guidelines and Molecular Tailoring

Book Chapter
Year: 2010. Pages: 205-226 .

Molecular tailoring approach for exploring structures, energetics and properties of clusters

Conference Paper
Year: 2010. Volume: 122 , Issue: 1 , Pages: 47-56 .
Authors: Shridhar R. Gadre; K. V. Jovan Jose; Anuja P. Rahalkar

On the applicability of fragmentation methods to conjugated π systems within density functional framework

Journal Article
The Journal of Chemical Physics. Year: 2010. Volume: 132 , Issue: 9 .
Authors: Sachin D. Yeole; Shridhar R. Gadre

Molecular tailoring approach in conjunction with MP2 and RI-MP2 codes: A comparison with fragment molecular orbital method

Journal Article
JOURNAL OF COMPUTATIONAL CHEMISTRY. Year: 2010. Volume: 31 , Issue: 13 , Pages: 2405-2418 .
Authors: Anuja P. Rahalkar; Michio Katouda; Shridhar R. Gadre; Shigeru Nagase
Showing 1 to 8 of 95 publications