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Pradeep Kumar Gurunathan - Publications

Affiliations: 
Intel Corporation, Santa Clara, CA, United States 
Area:
Computational Chemistry
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10 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Makoś MZ, Gurunathan PK, Raugei S, Kowalski K, Glezakou VA, Rousseau R. Modeling Absolute Redox Potentials of Ferrocene in the Condensed Phase. The Journal of Physical Chemistry Letters. 13: 10005-10010. PMID 36264148 DOI: 10.1021/acs.jpclett.2c02447  0.668
2021 Doudin N, Collinge G, Persaud RR, Gurunathan PK, Lee MS, Glezakou VA, Dixon DA, Rousseau R, Dohnálek Z. Binding and stability of MgO monomers on anatase TiO(101). The Journal of Chemical Physics. 154: 204703. PMID 34241167 DOI: 10.1063/5.0047521  0.6
2021 Doudin N, Collinge G, Persaud RR, Gurunathan PK, Lee MS, Glezakou VA, Dixon DA, Rousseau R, Dohnálek Z. Binding and stability of MgO monomers on anatase TiO(101). The Journal of Chemical Physics. 154: 204703. PMID 34241167 DOI: 10.1063/5.0047521  0.6
2021 Doudin N, Collinge G, Gurunathan PK, Lee MS, Glezakou VA, Rousseau R, Dohnálek Z. Creating self-assembled arrays of mono-oxo (MoO) species on TiO(101) via deposition and decomposition of (MoO) oligomers. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 33472974 DOI: 10.1073/pnas.2017703118  0.59
2021 Doudin N, Collinge G, Gurunathan PK, Lee MS, Glezakou VA, Rousseau R, Dohnálek Z. Creating self-assembled arrays of mono-oxo (MoO) species on TiO(101) via deposition and decomposition of (MoO) oligomers. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 33472974 DOI: 10.1073/pnas.2017703118  0.59
2019 Tazhigulov RN, Gurunathan PK, Kim Y, Slipchenko LV, Bravaya KB. Polarizable embedding for simulating redox potentials of biomolecules. Physical Chemistry Chemical Physics : Pccp. PMID 31116217 DOI: 10.1039/C9Cp01533G  0.714
2019 Tazhigulov RN, Gurunathan PK, Kim Y, Slipchenko LV, Bravaya KB. Polarizable embedding for simulating redox potentials of biomolecules. Physical Chemistry Chemical Physics : Pccp. PMID 31116217 DOI: 10.1039/C9Cp01533G  0.714
2016 Gurunathan PK, Acharya A, Ghosh D, Kosenkov D, Kaliman I, Shao Y, Krylov AI, Slipchenko LV. The Extension of the Effective Fragment Potential Method to Macromolecules. The Journal of Physical Chemistry. B. PMID 27314461 DOI: 10.1021/Acs.Jpcb.6B04166  0.685
2016 Gurunathan PK, Acharya A, Ghosh D, Kosenkov D, Kaliman I, Shao Y, Krylov AI, Slipchenko LV. The Extension of the Effective Fragment Potential Method to Macromolecules. The Journal of Physical Chemistry. B. PMID 27314461 DOI: 10.1021/Acs.Jpcb.6B04166  0.685
2014 Hoffman GJ, Gurunathan PK, Francisco JS, Slipchenko LV. Excited states of OH-(H₂O)n clusters for n = 1-4: an ab initio study. The Journal of Chemical Physics. 141: 104315. PMID 25217924 DOI: 10.1063/1.4894772  0.582
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