Karthikeyan S - Search Results

1

Undissociated versus dissociated structures for water clusters and ammonia-water clusters: (H2O)n and NH3(H2O)n-1 (n = 5, 8, 9, 21). Theoretical study.

Karthikeyan S, Singh NJ, Kim KS. Karthikeyan S, et al. J Phys Chem A. 2008 Jul 24;112(29):6527-32. doi: 10.1021/jp801678r. Epub 2008 Jun 26. J Phys Chem A. 2008. PMID: 18578481

2

Structures, energetics, vibrational spectra of NH4+ (H2O)(n=4,6) clusters: Ab initio calculations and first principles molecular dynamics simulations.

Karthikeyan S, Singh JN, Park M, Kumar R, Kim KS. Karthikeyan S, et al. J Chem Phys. 2008 Jun 28;128(24):244304. doi: 10.1063/1.2943671. J Chem Phys. 2008. PMID: 18601329

3

Structure, stability, thermodynamic properties, and infrared spectra of the protonated water octamer H(+)(H2O)8.

Karthikeyan S, Park M, Shin I, Kim KS. Karthikeyan S, et al. J Phys Chem A. 2008 Oct 16;112(41):10120-4. doi: 10.1021/jp804806u. Epub 2008 Sep 13. J Phys Chem A. 2008. PMID: 18788720

4

Structure, stability, thermodynamic properties, and IR spectra of the protonated water decamer H+(H2O)10.

Karthikeyan S, Kim KS. Karthikeyan S, et al. J Phys Chem A. 2009 Aug 13;113(32):9237-42. doi: 10.1021/jp9042182. J Phys Chem A. 2009. PMID: 19618910

5

Binary complexes of tertiary amines with phenylacetylene. Dispersion wins over electrostatics.

Maity S, Patwari GN, Karthikeyan S, Kim KS. Maity S, et al. Among authors: karthikeyan s. Phys Chem Chem Phys. 2010 Jun 21;12(23):6150-6. doi: 10.1039/b918013c. Epub 2010 Apr 13. Phys Chem Chem Phys. 2010. PMID: 20386800

6

A combined spectroscopic and ab initio investigation of phenylacetylene-methylamine complex. Observation of σ and π type hydrogen-bonded configurations and fluorescence quenching by weak C-H···N hydrogen bonding.

Maity S, Dey A, Patwari GN, Karthikeyan S, Kim KS. Maity S, et al. Among authors: karthikeyan s. J Phys Chem A. 2010 Oct 28;114(42):11347-52. doi: 10.1021/jp105439y. J Phys Chem A. 2010. PMID: 20795721

7

(R)-lipo-diaza-18-crown-6 self-assembled monolayer as a selective serotonin receptor.

Park JY, Lee YS, Chang BY, Karthikeyan S, Kim KS, Kim BH, Park SM. Park JY, et al. Among authors: karthikeyan s. Anal Chem. 2009 May 15;81(10):3843-50. doi: 10.1021/ac900220n. Anal Chem. 2009. PMID: 19358601

8

A pi-stacked phenylacetylene and 1,3,5-triazine heterodimer: a combined spectroscopic and ab initio investigation.

Guin M, Patwari GN, Karthikeyan S, Kim KS. Guin M, et al. Among authors: karthikeyan s. Phys Chem Chem Phys. 2009 Dec 21;11(47):11207-12. doi: 10.1039/b911640k. Epub 2009 Oct 20. Phys Chem Chem Phys. 2009. PMID: 20024389

9

Do N-heterocyclic aromatic rings prefer π-stacking?

Guin M, Patwari GN, Karthikeyan S, Kim KS. Guin M, et al. Among authors: karthikeyan s. Phys Chem Chem Phys. 2011 Apr 7;13(13):5514-25. doi: 10.1039/c0cp02015j. Epub 2011 Mar 1. Phys Chem Chem Phys. 2011. PMID: 21359400

10

Structures, Energetics, and IR Spectra of Monohydrated Inorganic Acids: Ab initio and DFT Study.

Kołaski M, Zakharenko AA, Karthikeyan S, Kim KS. Kołaski M, et al. Among authors: karthikeyan s. J Chem Theory Comput. 2011 Oct 11;7(10):3447-59. doi: 10.1021/ct100428z. Epub 2011 Sep 8. J Chem Theory Comput. 2011. PMID: 26598173

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