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The Journal of Chemical Physics|March 24, 2016
Vibrational infrared and Raman spectra of polypeptides: Fragments-in-fragments within molecular tailoring approachNityananda Sahu, Shridhar R GadreAccounts of Chemical Research|May 7, 2014
Molecular tailoring approach: a route for ab initio treatment of large clustersNityananda Sahu, Shridhar R GadreThe Journal of Chemical Physics|January 10, 2015
Accurate vibrational spectra via molecular tailoring approach: a case study of water clusters at MP2 levelNityananda Sahu, Shridhar R GadreJournal of Computational Chemistry|November 24, 2025
Efficient Simulation of Raman Optical Activity Spectra via Molecular Tailoring ApproachSimran Sharma, Subodh S Khire, Nityananda SahuJournal of Computational Chemistry|December 3, 2025
Efficient High-Level Quantum Chemical Exploration of Clathrate Hydrates via FragmentationSubodh S Khire, Nityananda Sahu, Takahito NakajimaThe Journal of Physical Chemistry. A|October 5, 2013
Exploring structures and energetics of large OCS clusters by correlated methodsNityananda Sahu, Gurmeet Singh, Shridhar R GadreJournal of Computational Chemistry|December 1, 2020
Instanton calculations of tunneling splittings in chiral moleculesNityananda Sahu, Jeremy O Richardson, Robert BergerThe Journal of Chemical Physics|March 22, 2013
Appraisal of molecular tailoring approach for large clustersNityananda Sahu, Sachin D Yeole, Shridhar R GadreThe Journal of Physical Chemistry. A|April 30, 2013
High-level ab initio investigations on structures and energetics of N2O clustersSachin D Yeole, Nityananda Sahu, Shridhar R GadreThe Journal of Chemical Physics|July 31, 2023
Combining fragmentation method and high-performance computing: Geometry optimization and vibrational spectra of proteinsNityananda Sahu, Subodh S Khire, Shridhar R GadrePageof 2