Electrostatic Potential Topology for Probing Molecular Structure, Bonding and Reactivity von Gadre, Shridhar R., Suresh, Cherumuttathu H., Mohan, Neetha

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Molecular Tailoring Approach for the Estimation of Intramolecular Hydrogen Bond Energy von Deshmukh, Milind M., Gadre, Shridhar R.

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Direct and Reliable Method for Estimating the Hydrogen Bond Energies and Cooperativity in Water Clusters, Wn, n = 3 to 8 von Ahirwar, Mini Bharati, Gadre, Shridhar R, Deshmukh, Milind M

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Vibrational infrared and Raman spectra of polypeptides: Fragments-in-fragments within molecular tailoring approach von Sahu, Nityananda, Gadre, Shridhar R.

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Accurate vibrational spectra via molecular tailoring approach: a case study of water clusters at MP2 level von Sahu, Nityananda, Gadre, Shridhar R

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Appraisal of molecular tailoring approach for large clusters von Sahu, Nityananda, Yeole, Sachin D, Gadre, Shridhar R

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Molecular tailoring approach for geometry optimization of large molecules: Energy evaluation and parallelization strategies von Ganesh, V., Dongare, Rameshwar K., Balanarayan, P., Gadre, Shridhar R.

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Estimation of N−H···OC Intramolecular Hydrogen Bond Energy in Polypeptides von Deshmukh, Milind M, Gadre, Shridhar R

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Molecular cluster building algorithm: Electrostatic guidelines and molecular tailoring approach von Yeole, Sachin D., Gadre, Shridhar R.

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Facilitating Minima Search for Large Water Clusters at the MP2 Level via Molecular Tailoring von Furtado, Jonathan P, Rahalkar, Anuja P, Shanker, Sudhanshu, Bandyopadhyay, Pradipta, Gadre, Shridhar R

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Intramolecular Hydrogen Bonding and Cooperative Interactions in Carbohydrates via the Molecular Tailoring Approach von Deshmukh, Milind M, Bartolotti, Libero J, Gadre, Shridhar R

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Molecular Tailoring Approach: A Route for ab Initio Treatment of Large Clusters von Sahu, Nityananda, Gadre, Shridhar R

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Enabling ab initio Hessian and frequency calculations of large molecules von Rahalkar, Anuja P., Ganesh, V., Gadre, Shridhar R.

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Quantum Chemical Investigations on Molecular Clusters von Gadre, Shridhar R, Yeole, Sachin D, Sahu, Nityananda

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Structure and Stability of Water Clusters (H2O) n , n = 8−20:  An Ab Initio Investigation von Maheshwary, Shruti, Patel, Nitin, Sathyamurthy, Narayanasami, Kulkarni, Anant D, Gadre, Shridhar R

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Direct and Reliable Method for Estimating the Hydrogen Bond Energies and Cooperativity in Water Clusters, W n , n = 3 to 8 von Ahirwar, Mini Bharati, Gadre, Shridhar R, Deshmukh, Milind M

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A combined theoretical and experimental study of phenol-(acetylene) n (n ≤ 7) clusters von Singh, Gurmeet, Nandi, Apurba, Gadre, Shridhar R., Chiba, Takashi, Fujii, Asuka

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Estimation of Intramolecular Hydrogen Bond Energy via Molecular Tailoring Approach von Deshmukh, Milind M, Gadre, Shridhar R, Bartolotti, Libero J

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Molecular Tailoring Approach for the Direct Estimation of Individual Noncovalent Interaction Energies in Molecular Systems von Ahirwar, Mini Bharati, Gadre, Shridhar R., Deshmukh, Milind M.

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On the synergetic effects of cyclic cooperativity in water clusters von Shivhare, Ayush, Dehariya, Bharti, Gadre, Shridhar R, Deshmukh, Milind M

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