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The Journal of Chemical Physics|August 22, 2016
Encaged molecules in external electric fields: A molecular "tug-of-war"Nalini D Gurav, Shridhar P Gejji, Libero J Bartolotti, et al.
Journal of Molecular Graphics & Modelling|March 28, 2009
Computational screening and design of S100B ligand to block S100B-p53 interactionJohn L Whitlow, Jayson F Varughese, Zhigang Zhou, et al.
The Journal of Chemical Physics|February 8, 2013
Exploring electric field induced structural evolution of water clusters, (H2O)n [n = 9-20]: density functional approachDhurba Rai, Anant D Kulkarni, Shridhar P Gejji, et al.
The Journal of Physical Chemistry. A|July 18, 2023
Theoretical Appraisal of Cyclopropenone: Aggregation and Complexes with WaterVivekanand V Gobre, Soniya S Rao, Shridhar P Gejji, et al.
The Journal of Physical Chemistry. A|December 28, 2018
Multigenerational Theoretical Study of Isoprene Peroxy Radical 1-5-Hydrogen Shift Reactions that Regenerate HO x Radicals and Produce Highly Oxidized MoleculesIvan R Piletic, Richard Howell, Libero J Bartolotti, et al.
The Journal of Physical Chemistry Letters|March 6, 2020
Impact of Local Electrostatics on the Redox Properties of Tryptophan Radicals in Azurin: Implications for Redox-Active Tryptophans in Proton-Coupled Electron TransferKristin J Tyson, Amanda N Davis, Jessica L Norris, et al.
Biochemistry|December 22, 2016
Glycoconjugated Site-Selective DNA-Methylating Agent Targeting Glucose Transporters on Glioma CellsMairin K Buchanan, Chase N Needham, Nina E Neill, et al.
Journal of Medicinal Chemistry|August 20, 2021
Mechanistic Investigation of Site-specific DNA Methylating Agents Targeting Breast Cancer CellsLeah L Lowder, Matthew Powell, Sean E Miller, et al.
Proceedings of the National Academy of Sciences of the United States of America|April 5, 2013
Epoxide as a precursor to secondary organic aerosol formation from isoprene photooxidation in the presence of nitrogen oxidesYing-Hsuan Lin, Haofei Zhang, Havala O T Pye, et al.
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