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Journal of Chemical Theory and Computation|September 13, 2023
MIM-ML: A Novel Quantum Chemical Fragment-Based Random Forest Model for Accurate Prediction of NMR Chemical Shifts of Nucleic AcidsSruthy K Chandy, Krishnan RaghavachariThe Journal of Physical Chemistry. A|August 3, 2021
A Fragmentation-Based Graph Embedding Framework for QM/MLEric M Collins, Krishnan RaghavachariJournal of Neurophysiology|April 30, 2004
Properties of quantal transmission at CA1 synapsesSridhar Raghavachari, John E LismanJournal of Chemical Theory and Computation|July 18, 2020
Effective Molecular Descriptors for Chemical Accuracy at DFT Cost: Fragmentation, Error-Cancellation, and Machine LearningEric M Collins, Krishnan RaghavachariFrontiers in Artificial Intelligence|March 18, 2021
Artificial Intelligence Based Approaches to Identify Molecular Determinants of Exceptional Health and Life Span-An Interdisciplinary Workshop at the National Institute on AgingJason H Moore, Nalini Raghavachari, Plos Computational Biology|November 1, 2008
The effects of NR2 subunit-dependent NMDA receptor kinetics on synaptic transmission and CaMKII activationDavid M Santucci, Sridhar RaghavachariAccounts of Chemical Research|November 14, 2014
The successful merger of theoretical thermochemistry with fragment-based methods in quantum chemistryRaghunath O Ramabhadran, Krishnan RaghavachariJournal of Chemical Theory and Computation|December 1, 2015
Charge Transfer Across ONIOM QM:QM Boundaries: The Impact of Model System PreparationNicholas J Mayhall, Krishnan RaghavachariGeroscience|October 31, 2018
Report: NIA workshop on translating genetic variants associated with longevity into drug targetsNicholas J Schork, Nalini Raghavachari, The Journal of Physical Chemistry. A|August 2, 2007
Two methanes are better than one: a density functional theory study of the reactions of Mo2Oy- (y = 2-5) with methaneNicholas J Mayhall, Krishnan RaghavachariPageof 46