Computation of Molecular Electrostatic Potential: an Efficient Algorithm and Parallelization. - Shridhar R. Gadre; Sangeeta Bapat; Indira Shrivastava (Comput. Chem., 1991)

Development of a restricted Hartree - Fock program INDMOL on PARAM: A highly parallel computer. - Rajendra N. Shirsat; Ajay C. Limaye; Shridhar R. Gadre (J. Comput. Chem., 1993)

Ab initio quality one-electron properties of large molecules: Development and testing of molecular tailoring approach. - K. Babu; Shridhar R. Gadre (J. Comput. Chem., 2003)

Foreword. - Shridhar R. Gadre (J. Comput. Chem., 2003)

WebProp: Web interface for ab initio calculation of molecular one-electron properties. - V. Ganesh; Ritwik Kavathekar; Anuja P. Rahalkar; Shridhar R. Gadre (J. Comput. Chem., 2008)

WebMTA: A web-interface for ab initio geometry optimization of large molecules using molecular tailoring approach. - Ritwik Kavathekar; Subodh Khire; V. Ganesh; Anuja P. Rahalkar; Shridhar R. Gadre (J. Comput. Chem., 2009)

Molecular tailoring approach in conjunction with MP2 and Ri-MP2 codes: A comparison with fragment molecular orbital method. - Anuja P. Rahalkar; Michio Katouda; Shridhar R. Gadre; Shigeru Nagase (J. Comput. Chem., 2010)

Intramolecular hydrogen bond energy and cooperative interactions in α-, β-, and γ-cyclodextrin conformers. - Milind M. Deshmukh; Libero J. Bartolotti; Shridhar R. Gadre (J. Comput. Chem., 2011)

DAMQT 2.1.0: A new version of the DAMQT package enabled with the topographical analysis of electron density and electrostatic potential in molecules. - Anmol Kumar; Sachin D. Yeole; Shridhar R. Gadre; Rafael López; Jaime Fernández Rico; Guillermo Ramírez; Ignacio Ema; David Zorrilla (J. Comput. Chem., 2015)

Topology of molecular electron density and electrostatic potential with DAMQT. - Rafael López; Jaime Fernández Rico; Guillermo Ramírez; Ignacio Ema; David Zorrilla; Anmol Kumar; Sachin D. Yeole; Shridhar R. Gadre (Comput. Phys. Commun., 2017)

PAREMD: A parallel program for the evaluation of momentum space properties of atoms and molecules. - Deep Raj Meena; Shridhar R. Gadre; P. Balanarayan (Comput. Phys. Commun., 2018)

Electrostatics for probing lone pairs and their interactions. - Padinjare Veetil Bijina; Cherumuttathu H. Suresh; Shridhar R. Gadre (J. Comput. Chem., 2018)

Preface. - Shridhar R. Gadre; C. H. Suresh (J. Comput. Chem., 2018)

MTASpec software for calculating the vibrational IR and Raman spectra of large molecules at ab initio level. - Subodh Khire; Nityananda Sahu; Shridhar R. Gadre (Comput. Phys. Commun., 2022)

DAMQT 3: Advanced suite for the analysis of molecular density and related properties in large systems. - Anmol Kumar; Rafael López; Frank Martinez; Guillermo Ramírez; Ignacio Ema; David Zorrilla; Sachin D. Yeole; Shridhar R. Gadre (Comput. Phys. Commun., 2022)

Development and testing of an algorithm for efficient MP2/CCSD(T) energy estimation of molecular clusters with the 2-body approach. - Subodh Khire; Shridhar R. Gadre (J. Comput. Chem., 2023)

Hydrogen bond energy estimation (H-BEE) in large molecular clusters: A Python program for quantum chemical investigations. - Mini Bharati Ahirwar; Subodh Khire; Shridhar R. Gadre; Milind M. Deshmukh (J. Comput. Chem., 2024)