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The Journal of Chemical Physics|December 21, 2023
Fragment-based models for dissociation of strong acids in water: Electrostatic embedding minimizes the dependence on the fragmentation schemesVikrant Tripathy, Krishnan RaghavachariJournal of Chemical Theory and Computation|April 17, 2024
Stepping-Stone CBH: Benchmark and Application of a Multilayered Isodesmic-Based Correction SchemeEric M Collins, Krishnan RaghavachariThe Journal of Physical Chemistry. A|May 11, 2012
Connectivity-Based Hierarchy for theoretical thermochemistry: assessment using wave function-based methodsRaghunath O Ramabhadran, Krishnan RaghavachariNano Letters|October 13, 2005
Carbon nanotube inner phase chemistry: the Cl- exchange SN2 reactionMathew D Halls, Krishnan RaghavachariColloids and Surfaces. B, Biointerfaces|November 7, 2000
Surface dependent structures of von Willebrand factor observed by AFM under aqueous conditionsRaghavachari, Tsai, Kottke-Marchant, et al.Journal of Chemical Theory and Computation|November 24, 2015
Extrapolation to the Gold-Standard in Quantum Chemistry: Computationally Efficient and Accurate CCSD(T) Energies for Large Molecules Using an Automated Thermochemical HierarchyRaghunath O Ramabhadran, Krishnan RaghavachariJournal of Chemical Theory and Computation|December 1, 2015
Multiple Solutions to the Single-Reference CCSD Equations for NiHNicholas J Mayhall, Krishnan RaghavachariJournal of Chemical Theory and Computation|May 3, 2023
Interpretable Graph-Network-Based Machine Learning Models via Molecular FragmentationEric M Collins, Krishnan RaghavachariJournal of Chemical Theory and Computation|February 28, 2022
Three-Dimensional Convolutional Neural Networks Utilizing Molecular Topological Features for Accurate Atomization Energy PredictionsAnkur Kumar Gupta, Krishnan RaghavachariMethods in Molecular Biology (Clifton, N.J.)|May 17, 2018
Overview of Gene Expression Analysis: TranscriptomicsNalini Raghavachari, Natàlia Garcia-ReyeroPageof 46