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Interaction-Deletion: A Composite Energy Method for the Optimization of Molecular Systems Selectively Removing Specific Nonbonded Interactions.

Gupta AK, Gamoke BC, Raghavachari K. Gupta AK, et al. Among authors: gamoke bc. J Phys Chem A. 2021 Jun 3;125(21):4668-4682. doi: 10.1021/acs.jpca.1c02918. Epub 2021 May 20. J Phys Chem A. 2021. PMID: 34014684

Divalent pseudoatoms for modeling Si(100) surfaces.

Gamoke BC, Das U, Hratchian HP, Raghavachari K. Gamoke BC, et al. J Chem Phys. 2013 Oct 28;139(16):164708. doi: 10.1063/1.4825402. J Chem Phys. 2013. PMID: 24182065

A Composite Energy Treatment for Sterically Hindered Cluster Models for the Si(100) Surface.

Gamoke BC, Mayhall NJ, Raghavachari K. Gamoke BC, et al. J Chem Theory Comput. 2012 Dec 11;8(12):5132-6. doi: 10.1021/ct3007259. Epub 2012 Oct 24. J Chem Theory Comput. 2012. PMID: 26593202

Nature of PO bonds in phosphates.

Gamoke B, Neff D, Simons J. Gamoke B, et al. J Phys Chem A. 2009 May 14;113(19):5677-84. doi: 10.1021/jp810014s. J Phys Chem A. 2009. PMID: 19378976

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