- Sudip Sasmal, Kaushik Talukdar, Malaya Nayak, Nayana Vaval And Sourav Pal, Calculation of hyperfine structure constants of small molecules using Z-vector method in the relativistic coupled-cluster framework, Journal of Chemical Sciences., 128, 1671 - 1675 (2016).
- Tumpa Sadhukhan, Bipasa Samanta, Shaz Ali And Sourav Pal , Theoretical Study of C-X [X = Cl, Br] Bond Activation on Aluminum Nanocluster, Theoretical Chemistry Accounts., 135, 234 (2016).
- Manzoor Dar, Sailaja Krishnamurty And Sourav Pal, Contriving a Catalytically Active Structure From an Inert Conformation: A Density Functional Investigation of Al, Hf and Ge Doping on Au20 Tetrahedral Cluster, J. Phys Chem C., 120, 19636 - 19641 (2016).
- Vidhika Sharma, Mohit Prasad, S. Jadkar And Sourav Pal, Influence of carbon and phosphorus doping on electronic properties of ZnO, Journal of Materials Science: Materials in Electronics., , (2016).
(In Press)
- Santosh K. Singh, Deepak Kumar, Vishal M. Dhavale, Sourav Pal And Sreekumar Kurungot, Strategic Preparation of Efficient and Durable NiCo-alloy Supported N-Doped Porous Graphene as an Oxygen Evolution Electrocatalyst: A Theoretical and Experimental Investigation, Advanced Materials Interfaces., , (2016).
(In Press)
- Deepak Kumar, Sourav Pal And Sailaja Krishnamurty, N2 Activation on Al Metal Clusters: Catalyzing role of BN-doped Graphene Support, Physical Chemistry Chemical Physics., 18, 27721 - 27727 (2016).
- Sudip Sasmal, Himadri Pathak, Malaya Nayak, Nayana Vaval And Sourav Pal, Relativistic coupled-cluster study of RaF as a candidate for parity and time reversal violating interaction, Phys. Rev. A., 93, 062506 (2016).
- Himadri Pathak, Sudip Sasmal, Malaya K. Nayak, Nayana Vaval And Sourav Pal, Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: Application to ionization potential, J. Chem. Phys., 145, 074110 (2016).
- Turbasu Sengupta And Sourav Pal, Radical attached aluminum nanoclusters: an alternative way of cluster stabilization, Physical Chemistry Chemical Physics., 18, 21746 - 21759 (2016).
- Achintya Dutta, Nayana Vaval And Sourav Pal, Assessment of low scaling approximations to EOM-CCSD method for ionization potential, To be communicated., , (2016).
- Madhulita Das, B. K. Sahoo And Sourav Pal, Plasma-screening effects on the electronic structure of multiply charged Al ions using Debye and ionsphere models, Phys. Rev. A., 93, 052513 (2016).
- Susanta Das, Sailaja Krishnamurty And Sourav Pal, Melting and Catalytic Behavior of Aluminum Nano–Clusters by Successive Substitution of Gallium Impurities, Submitted to J Phys Chem., , (2016).
- Turbasu Sengupta, Susanta Das And Sourav Pal, Transition Metal Doped Aluminum Clusters: An Account of Spin, submitted to J. Phys. Chem C., 120 (18), 10027 - 10040 (2016).
- Mudit Dixit, Dan Thomas Major And Sourav Pal, Hydrogen adsorption in ZIF-7: A DFT and ab initio molecular dynamics study, Chemical Physics Letters., 651, 178 - 182 (2016).
- Sudip Sasmal, Himadri Pathak, Malaya K. Nayak, Nayana Vaval And Sourav Pal, Search for parity and time reversal violating effects in HgH: Relativistic coupled-cluster study, J. Chem. Phys., 144, 124307 (2016).
- Susanta Das, Turbasu Sengupta, Achintya Dutta And Sourav Pal, Electron Detachment and Subsequent Structural Changes of Water Clusters, J. Phys. Chem. A., 120, 1065 - 1073 (2016).
- Himadri Pathak, Sudip Sasmal, Malaya K. Nayak, Nayana Vaval And Sourav Pal, Relativistic equation-of-motion coupled-cluster method for the electron attachment problem, Computational and Theoretical Chemistry., 1076, 94 - 100 (2016).
- Dar Manzoor, Sailaja Krishnamurty And Sourav Pal, Endohedrally Doped Gold Nanocages: Efficient Catalysts for O2 Activation and CO Oxidation, Phys. Chem. Chem. Phys., 18, 7068 (2016), DOI:10.1039/C5CP05624A.
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