Govind N - Search Results

1

Ultrafast x-ray pump x-ray probe transient absorption spectroscopy: A computational study and proposed experiment probing core-valence electronic correlations in solvated complexes.

Liekhus-Schmaltz CE, Ho PJ, Weakly RB, Aquila A, Schoenlein RW, Khalil M, Govind N. Liekhus-Schmaltz CE, et al. Among authors: govind n. J Chem Phys. 2021 Jun 7;154(21):214107. doi: 10.1063/5.0047381. J Chem Phys. 2021. PMID: 34240961

2

Photoelectron spectroscopy of higher bromine and iodine oxide anions: electron affinities and electronic structures of BrO(2,3) and IO(2-4) radicals.

Wen H, Hou GL, Huang W, Govind N, Wang XB. Wen H, et al. Among authors: govind n. J Chem Phys. 2011 Nov 14;135(18):184309. doi: 10.1063/1.3658858. J Chem Phys. 2011. PMID: 22088067

3

Core and valence excitations in resonant X-ray spectroscopy using restricted excitation window time-dependent density functional theory.

Zhang Y, Biggs JD, Healion D, Govind N, Mukamel S. Zhang Y, et al. Among authors: govind n. J Chem Phys. 2012 Nov 21;137(19):194306. doi: 10.1063/1.4766356. J Chem Phys. 2012. PMID: 23181305 Free PMC article.

4

Simulating Ru L3-edge X-ray absorption spectroscopy with time-dependent density functional theory: model complexes and electron localization in mixed-valence metal dimers.

Van Kuiken BE, Valiev M, Daifuku SL, Bannan C, Strader ML, Cho H, Huse N, Schoenlein RW, Govind N, Khalil M. Van Kuiken BE, et al. Among authors: govind n. J Phys Chem A. 2013 May 30;117(21):4444-54. doi: 10.1021/jp401020j. Epub 2013 May 17. J Phys Chem A. 2013. PMID: 23635307

5

The role of cytosine methylation on charge transport through a DNA strand.

Qi J, Govind N, Anantram MP. Qi J, et al. Among authors: govind n. J Chem Phys. 2015 Sep 7;143(9):094306. doi: 10.1063/1.4929909. J Chem Phys. 2015. PMID: 26342369

6

Simulating Valence-to-Core X-ray Emission Spectroscopy of Transition Metal Complexes with Time-Dependent Density Functional Theory.

Zhang Y, Mukamel S, Khalil M, Govind N. Zhang Y, et al. Among authors: govind n. J Chem Theory Comput. 2015 Dec 8;11(12):5804-9. doi: 10.1021/acs.jctc.5b00763. Epub 2015 Nov 19. J Chem Theory Comput. 2015. PMID: 26588191

7

Linear-Response and Real-Time Time-Dependent Density Functional Theory Studies of Core-Level Near-Edge X-Ray Absorption.

Lopata K, Van Kuiken BE, Khalil M, Govind N. Lopata K, et al. Among authors: govind n. J Chem Theory Comput. 2012 Sep 11;8(9):3284-92. doi: 10.1021/ct3005613. Epub 2012 Aug 27. J Chem Theory Comput. 2012. PMID: 26605735

8

Revisiting the hydration structure of aqueous Na.

Galib M, Baer MD, Skinner LB, Mundy CJ, Huthwelker T, Schenter GK, Benmore CJ, Govind N, Fulton JL. Galib M, et al. Among authors: govind n. J Chem Phys. 2017 Feb 28;146(8):084504. doi: 10.1063/1.4975608. J Chem Phys. 2017. PMID: 28249415

9

Comprehensive Experimental and Computational Spectroscopic Study of Hexacyanoferrate Complexes in Water: From Infrared to X-ray Wavelengths.

Ross M, Andersen A, Fox ZW, Zhang Y, Hong K, Lee JH, Cordones A, March AM, Doumy G, Southworth SH, Marcus MA, Schoenlein RW, Mukamel S, Govind N, Khalil M. Ross M, et al. Among authors: govind n. J Phys Chem B. 2018 May 17;122(19):5075-5086. doi: 10.1021/acs.jpcb.7b12532. Epub 2018 May 9. J Phys Chem B. 2018. PMID: 29613798

10

Unraveling the spectral signatures of solvent ordering in K-edge XANES of aqueous Na.

Galib M, Schenter GK, Mundy CJ, Govind N, Fulton JL. Galib M, et al. Among authors: govind n. J Chem Phys. 2018 Sep 28;149(12):124503. doi: 10.1063/1.5024568. J Chem Phys. 2018. PMID: 30278664

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