Krishnan Raghavachari
Orcid: 0000-0003-3275-1426
According to our database1,
Krishnan Raghavachari
authored at least 6 papers
between 2009 and 2024.
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Bibliography
2024
Leveraging DFT and Molecular Fragmentation for Chemically Accurate p<i>K</i><sub>a</sub> Prediction Using Machine Learning.
J. Chem. Inf. Model., 2024
2021
Electrostatically embedded molecules-in-molecules approach and its application to molecular clusters.
J. Comput. Chem., 2021
2020
Quantum Mechanical Investigation of Three-Dimensional Activity Cliffs Using the Molecules-in-Molecules Fragmentation-Based Method.
J. Chem. Inf. Model., 2020
2019
Energy Decomposition Analysis of Protein-Ligand Interactions Using Molecules-in-Molecules Fragmentation-Based Method.
J. Chem. Inf. Model., 2019
2016
Breaking a bottleneck: Accurate extrapolation to "gold standard" CCSD(T) energies for large open shell organic radicals at reduced computational cost.
J. Comput. Chem., 2016
2009
Predicting PH vibrations of gas phase molecules and surface-adsorbed species using bond length-frequency correlations.
J. Comput. Chem., 2009