Krishnan Raghavachari, PhD
Affiliations: | 1981-2002 | Bell Laboratories, Murray Hill, NJ, United States | |
| 2002- | Indiana University, Bloomington, Bloomington, IN, United States |
Website:
http://raghavachari.chem.indiana.edu/Google:
"Krishnan Raghavachari"Bio:
https://www.iaqms.org/members/raghavachari.php
https://history.aip.org/phn/11508030.html
https://www.cmu.edu/chemistry/pdf/doc_degr-advisor.pdf
Parents
Sign in to add mentor| John Anthony Pople | grad student | 1981 | Carnegie Mellon | |
| (Electron correlation theories and their application to the study of carbocations) | ||||
Children
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Publications
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| Gupta AK, Maier S, Thapa B, et al. (2024) Toward Post-Hartree-Fock Accuracy for Protein-Ligand Affinities Using the Molecules-in-Molecules Fragmentation-Based Method. Journal of Chemical Theory and Computation |
| Edhborg F, Olesund A, Tripathy V, et al. (2023) Triplet States of Cyanostar and Its Anion Complexes. The Journal of Physical Chemistry. A |
| Raghavachari K, Maier S, Collins EM, et al. (2023) Approaching Coupled Cluster Accuracy with Density Functional Theory Using the Generalized Connectivity-Based Hierarchy. Journal of Chemical Theory and Computation |
| Tripathy V, Mayhall NJ, Raghavachari K. (2022) ONIOM Method with Charge Transfer Corrections (ONIOM-CT): Analytic Gradients and Benchmarking. Journal of Chemical Theory and Computation |
| Maier S, Thapa B, Erickson J, et al. (2022) Comparative assessment of QM-based and MM-based models for prediction of protein-ligand binding affinity trends. Physical Chemistry Chemical Physics : Pccp. 24: 14525-14537 |
| Fan Z, Rong Y, Sadhukhan T, et al. (2022) Single-Cell Quantification of a Highly Biocompatible Dinuclear Iridium(III) Complex for Photocatalytic Cancer Therapy. Angewandte Chemie (International Ed. in English) |
| Huang H, Fan Z, Xie J, et al. (2021) Highly Efficient Ir(III)-coumarin Photo-redox Catalyst for Synergetic Multi-mode Cancer Photo-therapy. Chemistry (Weinheim An Der Bergstrasse, Germany) |
| Gupta AK, Gamoke BC, Raghavachari K. (2021) Interaction-Deletion: A Composite Energy Method for the Optimization of Molecular Systems Selectively Removing Specific Nonbonded Interactions. The Journal of Physical Chemistry. A |
| Tripathy V, Saha A, Raghavachari K. (2021) Electrostatically embedded molecules-in-molecules approach and its application to molecular clusters. Journal of Computational Chemistry |
| Huang H, Huang C, Liang C, et al. (2021) In-vitro and In-vivo Photo-catalytic Cancer Therapy with Bio-compatible Iridium(III) Photo-catalysts. Angewandte Chemie (International Ed. in English) |