Raghunath O. Ramabhadran, Ph.D.
Affiliations: | 2014 | Chemistry | Indiana University, Bloomington, Bloomington, IN, United States |
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"Raghunath Ramabhadran"Parents
Sign in to add mentor| Krishnan Raghavachari | grad student | 2014 | Indiana University Bloomington | |
| (New developments in theoretical thermochemistry and electronic structure applications in supramolecular chemistry and cluster science.) | ||||
Children
Sign in to add trainee| Roshni Willita Pereira | grad student | IISER Tirupati | |
| Sorakayala Thripati | grad student | IISER Tirupati |
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Publications
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| Pereira RW, Ramabhadran RO. (2023) Accurate Computation of Aqueous ps of Biologically Relevant Organic Acids: Overcoming the Challenges Posed by Multiple Conformers, Tautomeric Equilibria, and Disparate Functional Groups with the Fully Black-Box p-Yay Method. The Journal of Physical Chemistry. A. 127: 9121-9138 |
| Pereira RW, Joshi K, Ramabhadran RO. (2023) Intrinsic vs Reaction-Driven Fluxionality in Transition-Metal Oxide Clusters: What Does Probing the Dynamics of MO (M = Mo and W) Reacting with HO Teach Us? The Journal of Physical Chemistry. A. 127: 4650-4659 |
| Thripati S, Ramabhadran RO. (2021) Pathways for the Formation of Formamide, a Prebiotic Biomonomer: Metal-Ions in Interstellar Gas-Phase Chemistry. The Journal of Physical Chemistry. A. 125: 3457-3472 |
| Pereira RW, Ramabhadran RO. (2020) pK-Yay: A Black-Box Method Using Density Functional Theory and Implicit Solvation Models to Compute Aqueous p Values of Weak and Strong Acids. The Journal of Physical Chemistry. A. 124: 9061-9074 |
| M S, Ramabhadran RO, S SK. (2020) Theoretical Investigation of a Vital Step in the Gasphase Formation of Interstellar Ammonia: NH + H → NH + H. The Journal of Physical Chemistry. A |
| Thripati S, Ramabhadran RO. (2017) Metal-Ion- and Hydrogen-Bond-Mediated Interstellar Prebiotic Chemistry: The First Step in the Formose Reaction. The Journal of Physical Chemistry. A |
| Sengupta A, Ramabhadran RO, Raghavachari K. (2015) Breaking a bottleneck: Accurate extrapolation to "gold standard" CCSD(T) energies for large open shell organic radicals at reduced computational cost. Journal of Computational Chemistry |
| Ramabhadran RO, Raghavachari K. (2014) The successful merger of theoretical thermochemistry with fragment-based methods in quantum chemistry. Accounts of Chemical Research. 47: 3596-604 |
| Sengupta A, Ramabhadran RO, Raghavachari K. (2014) Accurate and computationally efficient prediction of thermochemical properties of biomolecules using the generalized connectivity-based hierarchy. The Journal of Physical Chemistry. B. 118: 9631-43 |
| Ramabhadran RO, Hua Y, Flood AH, et al. (2014) C vs N: which end of the cyanide anion is a better hydrogen bond acceptor? The Journal of Physical Chemistry. A. 118: 7418-23 |