Arjun Saha - Publications

Affiliations: 
2011-2016 Indiana University, Bloomington, Bloomington, IN, United States 

11 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Tripathy V, Saha A, Raghavachari K. Electrostatically embedded molecules-in-molecules approach and its application to molecular clusters. Journal of Computational Chemistry. PMID 33586802 DOI: 10.1002/jcc.26492  1
2017 Kumar CA, Saha A, Raghavachari K. Bond Activation and Hydrogen Evolution from Water through Reactions with M3S4 (M = Mo, W) and W3S3 Anionic Clusters. The Journal of Physical Chemistry. A. PMID 28212031 DOI: 10.1021/Acs.Jpca.6B11879  1
2016 Ray M, Saha A, Raghavachari K. Hydrogen evolution from water using Mo-oxide clusters in the gas phase: DFT modeling of a complete catalytic cycle using a Mo2O4(-)/Mo2O5(-) cluster couple. Physical Chemistry Chemical Physics : Pccp. 18: 25687-25692. PMID 27711425 DOI: 10.1039/C6Cp04259G  1
2015 Saha A, Raghavachari K. Analysis of Different Fragmentation Strategies on a Variety of Large Peptides: Implementation of a Low Level of Theory in Fragment-Based Methods Can Be a Crucial Factor. Journal of Chemical Theory and Computation. 11: 2012-23. PMID 26574406 DOI: 10.1021/Ct501045S  1
2015 Raghavachari K, Saha A. Accurate Composite and Fragment-Based Quantum Chemical Models for Large Molecules. Chemical Reviews. 115: 5643-77. PMID 25849163 DOI: 10.1021/Cr500606E  1
2015 Saha A, Raghavachari K. Analysis of different fragmentation strategies on a variety of large peptides: Implementation of a low level of theory in fragment-based methods can be a crucial factor Journal of Chemical Theory and Computation. 11: 2012-2023. DOI: 10.1021/ct501045s  1
2014 Saha A, Raghavachari K. Dimers of Dimers (DOD): A New Fragment-Based Method Applied to Large Water Clusters. Journal of Chemical Theory and Computation. 10: 58-67. PMID 26579891 DOI: 10.1021/Ct400472V  1
2014 Ray M, Waller SE, Saha A, Raghavachari K, Jarrold CC. Comparative study of water reactivity with Mo₂O(y)⁻ and W₂O(y)⁻ clusters: a combined experimental and theoretical investigation. The Journal of Chemical Physics. 141: 104310. PMID 25217919 DOI: 10.1063/1.4894760  1
2014 Saha A, Raghavachari K. Electronic structures and water reactivity of mixed metal sulfide cluster anions. The Journal of Chemical Physics. 141: 074305. PMID 25149784 DOI: 10.1063/1.4892671  1
2014 Saha A, Raghavachari K. Dimers of dimers (DOD): A new fragment-based method applied to large water clusters Journal of Chemical Theory and Computation. 10: 58-67. DOI: 10.1021/ct400472v  1
2013 Saha A, Raghavachari K. Hydrogen evolution from water through metal sulfide reactions. The Journal of Chemical Physics. 139: 204301. PMID 24289348 DOI: 10.1063/1.4830096  1
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