Ghosh D - Search Results

1

Effective fragment potential method in Q-CHEM: a guide for users and developers.

Ghosh D, Kosenkov D, Vanovschi V, Flick J, Kaliman I, Shao Y, Gilbert AT, Krylov AI, Slipchenko LV. Ghosh D, et al. J Comput Chem. 2013 May 5;34(12):1060-70. doi: 10.1002/jcc.23223. Epub 2013 Jan 15. J Comput Chem. 2013. PMID: 23319180

2

Noncovalent interactions in extended systems described by the effective fragment potential method: theory and application to nucleobase oligomers.

Ghosh D, Kosenkov D, Vanovschi V, Williams CF, Herbert JM, Gordon MS, Schmidt MW, Slipchenko LV, Krylov AI. Ghosh D, et al. J Phys Chem A. 2010 Dec 9;114(48):12739-54. doi: 10.1021/jp107557p. Epub 2010 Nov 10. J Phys Chem A. 2010. PMID: 21067134 Free PMC article.

3

Effect of solvation on the vertical ionization energy of thymine: from microhydration to bulk.

Ghosh D, Isayev O, Slipchenko LV, Krylov AI. Ghosh D, et al. J Phys Chem A. 2011 Jun 16;115(23):6028-38. doi: 10.1021/jp110438c. Epub 2011 Apr 18. J Phys Chem A. 2011. PMID: 21500795 Free PMC article.

4

Toward understanding the redox properties of model chromophores from the green fluorescent protein family: an interplay between conjugation, resonance stabilization, and solvent effects.

Ghosh D, Acharya A, Tiwari SC, Krylov AI. Ghosh D, et al. J Phys Chem B. 2012 Oct 18;116(41):12398-405. doi: 10.1021/jp305022t. Epub 2012 Oct 8. J Phys Chem B. 2012. PMID: 22978512

5

Extension of the Effective Fragment Potential Method to Macromolecules.

Gurunathan PK, Acharya A, Ghosh D, Kosenkov D, Kaliman I, Shao Y, Krylov AI, Slipchenko LV. Gurunathan PK, et al. Among authors: ghosh d. J Phys Chem B. 2016 Jul 14;120(27):6562-74. doi: 10.1021/acs.jpcb.6b04166. Epub 2016 Jul 6. J Phys Chem B. 2016. PMID: 27314461

6

First-principle protocol for calculating ionization energies and redox potentials of solvated molecules and ions: theory and application to aqueous phenol and phenolate.

Ghosh D, Roy A, Seidel R, Winter B, Bradforth S, Krylov AI. Ghosh D, et al. J Phys Chem B. 2012 Jun 21;116(24):7269-80. doi: 10.1021/jp301925k. Epub 2012 May 4. J Phys Chem B. 2012. PMID: 22497288 Free PMC article.

7

A VUV Photoionization and Ab Initio Determination of the Ionization Energy of a Gas-Phase Sugar (Deoxyribose).

Ghosh D, Golan A, Takahashi LK, Krylov AI, Ahmed M. Ghosh D, et al. J Phys Chem Lett. 2012 Jan 5;3(1):97-101. doi: 10.1021/jz201446r. Epub 2011 Dec 16. J Phys Chem Lett. 2012. PMID: 26701259

8

Effect of Solvation on Electron Detachment and Excitation Energies of a Green Fluorescent Protein Chromophore Variant.

Bose S, Chakrabarty S, Ghosh D. Bose S, et al. Among authors: ghosh d. J Phys Chem B. 2016 May 19;120(19):4410-20. doi: 10.1021/acs.jpcb.6b03723. Epub 2016 May 4. J Phys Chem B. 2016. PMID: 27116477

9

Hybrid Equation-of-Motion Coupled-Cluster/Effective Fragment Potential Method: A Route toward Understanding Photoprocesses in the Condensed Phase.

Ghosh D. Ghosh D. J Phys Chem A. 2017 Feb 2;121(4):741-752. doi: 10.1021/acs.jpca.6b08263. Epub 2016 Oct 31. J Phys Chem A. 2017. PMID: 27797500

10

Ionization-induced tautomerization in cytosine and effect of solvation.

Das T, Ghosh D. Das T, et al. Among authors: ghosh d. J Phys Chem A. 2014 Jul 17;118(28):5323-32. doi: 10.1021/jp503947d. Epub 2014 Jul 8. J Phys Chem A. 2014. PMID: 24955479

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