Dr Prashant Uday Manohar
vidwan id: 228123
Associate Professor, Department of Chemistry
Birla Institute of Technology and Science
Expertise
- Multidisciplinary Chemistry
Publications
Publications
No publication activity to display at the moment.
Scopus
h-index
9
CrossRef
Citations
3766
h-index
10
Google Scholar
Loading Scholar statistics...
Professional Recognition
No Data Found
There is currently nothing to display here.
Community & Membership
No Data Found
There is currently nothing to display here.
Chemical Research Society of India
Bio
My major research interest lies in developing Computational Chemistry Software. In particular, I work on electronic structure methods for highly correlated systems. I have been associated with developers' team of Q-CHEM (a commercial quantum chemistry package) since 2008. I love to teach Quantum Chemistry, Physical Chemistry, General Chemistry, etc. I also like to guide MSc students for Chemistry Software Development. "Rasayana" (a RHF program) and "Virtual Laboratory" (a set of virtualized Chem
Personal Details
- Male
- Associate Professor , Birla Institute of Technology and Science
- Birla Institute of Technology and Science, Pilani, Vidya Vihar
Related Profiles
Experts (2810+)
View All
Vice Principal
Research Scholar
Assistant Professor
Assistant Professor
Assistant Professor
Research Fellow
Assistant Professor
Associate Professor
Assistant Professor
Assistant Professor
Organisations (1053+)
View All
Assistant Professor
Dr VVSN Prabhakar Rao Budhiraju
Professor
Assistant Professor
Associate Professor
Professor
Professor
Professor
Associate Professor
Associate Professor
Associate Professor
Co-Authors (8)
Indian Institute of Technology Bombay
Birla Institute of Technology and Science
Indian Institute of Science Education and Research(IISER), Mohali
CSIR National Chemical Laboratory
N/A
Birla Institute of Technology and Science
M S Ramaiah Institute of Technology, Bangalore
Birla Institute of Technology and Science
Scholarly Work
An extensive computational development of multi-reference coupled-cluster methods for electronic structure investigations of big molecules
Funding Agency: Department of Science and Technology, Govt. of India
PI
22.4 lakhs
2012 - 2015
Computational development and implementation of some cost-effective variants of coupled-cluster based methods for energies and properties of molecules in near-degenerate electronic states
No Data Found
There is currently nothing to display here.
Scholarly Publications
Spin-flip equation-of-motion coupled cluster method with singles, doubles and (full) triples: computational implementation and some pilot applications
Open AccessRevealing the biradicaloid nature inherited in the derivatives of thieno[3,4-: C] [1,2,5]thiadiazole: A computational study
Open AccessSoftware for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Open AccessAnalytical dipole moments and dipole polarizabilities of doublet radicals using Cholesky representation of constrained variational linear response to Fock-space multi-reference coupled-cluster method with single and double substitutions
Open AccessFunctionalized pyranopyrazole molecules as corrosion inhibitors for mild copper metal in HCl solution: Synthesis, theoretical studies, and physical investigations
Open AccessResolution of the Identity and Cholesky Representation of EOM-MP2 Approximation: Implementation, Accuracy and Efficiency
Open AccessAdvances in molecular quantum chemistry contained in the Q-Chem 4 program package
Open Access
10.1080/00268976.2014.952696
2579
2534