Shridhar R. Gadre

Publication Activity (10 Years)

Years Active: 1991-2024
Publications (10 Years): 9

Top Topics

Information Retrieval And Extraction

Hierarchical Clustering

Top Venues

J. Comput. Chem.

Comput. Phys. Commun.

Publications

Mini Bharati Ahirwar, Subodh Khire, Shridhar R. Gadre, Milind M. Deshmukh
Hydrogen bond energy estimation (H-BEE) in large molecular clusters: A Python program for quantum chemical investigations. J. Comput. Chem. 45 (5) (2024)
Subodh Khire, Shridhar R. Gadre
Development and testing of an algorithm for efficient MP2/CCSD(T) energy estimation of molecular clusters with the 2-body approach. J. Comput. Chem. 44 (3) (2023)
Subodh Khire, Nityananda Sahu, Shridhar R. Gadre
level. Comput. Phys. Commun. 270 (2022)
Anmol Kumar, Rafael López, Frank Martinez, Guillermo Ramírez, Ignacio Ema, David Zorrilla, Sachin D. Yeole, Shridhar R. Gadre
DAMQT 3: Advanced suite for the analysis of molecular density and related properties in large systems. Comput. Phys. Commun. 279 (2022)
Shridhar R. Gadre, C. H. Suresh
Preface. J. Comput. Chem. 39 (9) (2018)
Padinjare Veetil Bijina, Cherumuttathu H. Suresh, Shridhar R. Gadre
Electrostatics for probing lone pairs and their interactions. J. Comput. Chem. 39 (9) (2018)
Deep Raj Meena, Shridhar R. Gadre, P. Balanarayan
PAREMD: A parallel program for the evaluation of momentum space properties of atoms and molecules. Comput. Phys. Commun. 224 (2018)
Rafael López, Jaime Fernández Rico, Guillermo Ramírez, Ignacio Ema, David Zorrilla, Anmol Kumar, Sachin D. Yeole, Shridhar R. Gadre
Topology of molecular electron density and electrostatic potential with DAMQT. Comput. Phys. Commun. 214 (2017)
Anmol Kumar, Sachin D. Yeole, Shridhar R. Gadre, Rafael López, Jaime Fernández Rico, Guillermo Ramírez, Ignacio Ema, David Zorrilla
DAMQT 2.1.0: A new version of the DAMQT package enabled with the topographical analysis of electron density and electrostatic potential in molecules. J. Comput. Chem. 36 (31) (2015)
Milind M. Deshmukh, Libero J. Bartolotti, Shridhar R. Gadre
Intramolecular hydrogen bond energy and cooperative interactions in α-, β-, and γ-cyclodextrin conformers. J. Comput. Chem. 32 (14) (2011)
Anuja P. Rahalkar, Michio Katouda, Shridhar R. Gadre, Shigeru Nagase
Molecular tailoring approach in conjunction with MP2 and Ri-MP2 codes: A comparison with fragment molecular orbital method. J. Comput. Chem. 31 (13) (2010)
Ritwik Kavathekar, Subodh Khire, V. Ganesh, Anuja P. Rahalkar, Shridhar R. Gadre
geometry optimization of large molecules using molecular tailoring approach. J. Comput. Chem. 30 (7) (2009)
V. Ganesh, Ritwik Kavathekar, Anuja P. Rahalkar, Shridhar R. Gadre
calculation of molecular one-electron properties. J. Comput. Chem. 29 (3) (2008)
Shridhar R. Gadre
Foreword. J. Comput. Chem. 24 (4) (2003)
K. Babu, Shridhar R. Gadre
Ab initio quality one-electron properties of large molecules: Development and testing of molecular tailoring approach. J. Comput. Chem. 24 (4) (2003)
Rajendra N. Shirsat, Ajay C. Limaye, Shridhar R. Gadre
Development of a restricted Hartree - Fock program INDMOL on PARAM: A highly parallel computer. J. Comput. Chem. 14 (4) (1993)
Shridhar R. Gadre, Sangeeta Bapat, Indira Shrivastava
Computation of Molecular Electrostatic Potential: an Efficient Algorithm and Parallelization. Comput. Chem. 15 (3) (1991)