Krishnan Raghavachari

Publication Activity (10 Years)

Years Active: 2009-2024
Publications (10 Years): 5

Top Topics

Application Of Machine Learning Methods

Molecular Structure

Chemical Reactions

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

Publications

Alec J. Sanchez, Sarah Maier, Krishnan Raghavachari
Prediction Using Machine Learning. J. Chem. Inf. Model. 64 (3) (2024)
Vikrant Tripathy, Arjun Saha, Krishnan Raghavachari
Electrostatically embedded molecules-in-molecules approach and its application to molecular clusters. J. Comput. Chem. 42 (10) (2021)
Bishnu Thapa, Jon Erickson, Krishnan Raghavachari
Quantum Mechanical Investigation of Three-Dimensional Activity Cliffs Using the Molecules-in-Molecules Fragmentation-Based Method. J. Chem. Inf. Model. 60 (6) (2020)
Bishnu Thapa, Krishnan Raghavachari
Energy Decomposition Analysis of Protein-Ligand Interactions Using Molecules-in-Molecules Fragmentation-Based Method. J. Chem. Inf. Model. 59 (8) (2019)
Arkajyoti Sengupta, Raghunath O. Ramabhadran, Krishnan Raghavachari
Breaking a bottleneck: Accurate extrapolation to "gold standard" CCSD(T) energies for large open shell organic radicals at reduced computational cost. J. Comput. Chem. 37 (2) (2016)
Ujjal Das, Krishnan Raghavachari
Predicting PH vibrations of gas phase molecules and surface-adsorbed species using bond length-frequency correlations. J. Comput. Chem. 30 (12) (2009)