Govind N - Search Results

1

A combined gas-phase photoelectron spectroscopic and theoretical study of Zeise's anion and its bromine and iodine analogues.

Hou GL, Wen H, Lopata K, Zheng WJ, Kowalski K, Govind N, Wang XB, Xantheas SS. Hou GL, et al. Among authors: govind n. Angew Chem Int Ed Engl. 2012 Jun 25;51(26):6356-60. doi: 10.1002/anie.201201959. Epub 2012 May 8. Angew Chem Int Ed Engl. 2012. PMID: 22565588

2

Excitation energies of zinc porphyrin in aqueous solution using long-range corrected time-dependent density functional theory.

Govind N, Valiev M, Jensen L, Kowalski K. Govind N, et al. J Phys Chem A. 2009 May 28;113(21):6041-3. doi: 10.1021/jp902118k. J Phys Chem A. 2009. PMID: 19405520

3

Accurate dipole polarizabilities for water clusters n=2-12 at the coupled-cluster level of theory and benchmarking of various density functionals.

Hammond JR, Govind N, Kowalski K, Autschbach J, Xantheas SS. Hammond JR, et al. Among authors: govind n. J Chem Phys. 2009 Dec 7;131(21):214103. doi: 10.1063/1.3263604. J Chem Phys. 2009. PMID: 19968333

4

Active-space completely-renormalized equation-of-motion coupled-cluster formalism: Excited-state studies of green fluorescent protein, free-base porphyrin, and oligoporphyrin dimer.

Kowalski K, Krishnamoorthy S, Villa O, Hammond JR, Govind N. Kowalski K, et al. Among authors: govind n. J Chem Phys. 2010 Apr 21;132(15):154103. doi: 10.1063/1.3385315. J Chem Phys. 2010. PMID: 20423164

5

Utilizing high performance computing for chemistry: parallel computational chemistry.

de Jong WA, Bylaska E, Govind N, Janssen CL, Kowalski K, Müller T, Nielsen IM, van Dam HJ, Veryazov V, Lindh R. de Jong WA, et al. Among authors: govind n. Phys Chem Chem Phys. 2010 Jul 14;12(26):6896-920. doi: 10.1039/c002859b. Epub 2010 Jun 8. Phys Chem Chem Phys. 2010. PMID: 20532308

6

EOMCC, MRPT, and TDDFT studies of charge transfer processes in mixed-valence compounds: application to the spiro molecule.

Glaesemann KR, Govind N, Krishnamoorthy S, Kowalski K. Glaesemann KR, et al. Among authors: govind n. J Phys Chem A. 2010 Aug 26;114(33):8764-71. doi: 10.1021/jp101761d. J Phys Chem A. 2010. PMID: 20540550

7

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

8

Communication: Application of state-specific multireference coupled cluster methods to core-level excitations.

Brabec J, Bhaskaran-Nair K, Govind N, Pittner J, Kowalski K. Brabec J, et al. Among authors: govind n. J Chem Phys. 2012 Nov 7;137(17):171101. doi: 10.1063/1.4764355. J Chem Phys. 2012. PMID: 23145708

9

Electron transfer beyond the static picture: a TDDFT∕TD-ZINDO study of a pentacene dimer.

Reslan R, Lopata K, Arntsen C, Govind N, Neuhauser D. Reslan R, et al. Among authors: govind n. J Chem Phys. 2012 Dec 14;137(22):22A502. doi: 10.1063/1.4729047. J Chem Phys. 2012. PMID: 23249039

10

Reliable modeling of the electronic spectra of realistic uranium complexes.

Tecmer P, Govind N, Kowalski K, de Jong WA, Visscher L. Tecmer P, et al. Among authors: govind n. J Chem Phys. 2013 Jul 21;139(3):034301. doi: 10.1063/1.4812360. J Chem Phys. 2013. PMID: 23883021

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