Schenter GK - Search Results

1

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: schenter gk. J Chem Phys. 2017 Feb 28;146(8):084504. doi: 10.1063/1.4975608. J Chem Phys. 2017. PMID: 28249415

2

Predicting Outcomes of Nanoparticle Attachment by Connecting Atomistic, Interfacial, Particle, and Aggregate Scales.

Liu L, Legg BA, Smith W, Anovitz LM, Zhang X, Harper R, Pearce CI, Rosso KM, Stack AG, Bleuel M, Mildner DFR, Schenter GK, Clark AE, De Yoreo JJ, Chun J, Nakouzi E. Liu L, et al. Among authors: schenter gk. ACS Nano. 2023 Aug 22;17(16):15556-15567. doi: 10.1021/acsnano.3c02145. Epub 2023 Aug 9. ACS Nano. 2023. PMID: 37556761

3

A quantitative account of quantum effects in liquid water.

Fanourgakis GS, Schenter GK, Xantheas SS. Fanourgakis GS, et al. Among authors: schenter gk. J Chem Phys. 2006 Oct 14;125(14):141102. doi: 10.1063/1.2358137. J Chem Phys. 2006. PMID: 17042571

4

Molecular simulation analysis and X-ray absorption measurement of Ca2+, K+ and Cl- ions in solution.

Dang LX, Schenter GK, Glezakou VA, Fulton JL. Dang LX, et al. Among authors: schenter gk. J Phys Chem B. 2006 Nov 30;110(47):23644-54. doi: 10.1021/jp064661f. J Phys Chem B. 2006. PMID: 17125322

5

Hybrid approach for free energy calculations with high-level methods: application to the SN2 reaction of CHCl3 and OH- in water.

Valiev M, Garrett BC, Tsai MK, Kowalski K, Kathmann SM, Schenter GK, Dupuis M. Valiev M, et al. Among authors: schenter gk. J Chem Phys. 2007 Aug 7;127(5):051102. doi: 10.1063/1.2768343. J Chem Phys. 2007. PMID: 17688327

6

Spectroscopic studies of the phase transition in ammonia borane: Raman spectroscopy of single crystal NH3BH3 as a function of temperature from 88 to 330 K.

Hess NJ, Bowden ME, Parvanov VM, Mundy C, Kathmann SM, Schenter GK, Autrey T. Hess NJ, et al. Among authors: schenter gk. J Chem Phys. 2008 Jan 21;128(3):034508. doi: 10.1063/1.2820768. J Chem Phys. 2008. PMID: 18205511

7

Equatorial and apical solvent shells of the UO2 2+ ion.

Nichols P, Bylaska EJ, Schenter GK, de Jong W. Nichols P, et al. Among authors: schenter gk. J Chem Phys. 2008 Mar 28;128(12):124507. doi: 10.1063/1.2884861. J Chem Phys. 2008. PMID: 18376943

8

Molecular structure and dynamics in the low temperature (orthorhombic) phase of NH3BH3.

Cho H, Shaw WJ, Parvanov V, Schenter GK, Karkamkar A, Hess NJ, Mundy C, Kathmann S, Sears J, Lipton AS, Ellis PD, Autrey ST. Cho H, et al. Among authors: schenter gk. J Phys Chem A. 2008 May 8;112(18):4277-83. doi: 10.1021/jp7117696. Epub 2008 Apr 12. J Phys Chem A. 2008. PMID: 18407708

9

Self-consistent polarization neglect of diatomic differential overlap: application to water clusters.

Chang DT, Schenter GK, Garrett BC. Chang DT, et al. Among authors: schenter gk. J Chem Phys. 2008 Apr 28;128(16):164111. doi: 10.1063/1.2905230. J Chem Phys. 2008. PMID: 18447425

10

Self-consistent polarization density functional theory: application to argon.

Maerzke KA, Murdachaew G, Mundy CJ, Schenter GK, Siepmann JI. Maerzke KA, et al. Among authors: schenter gk. J Phys Chem A. 2009 Mar 12;113(10):2075-85. doi: 10.1021/jp808767y. J Phys Chem A. 2009. PMID: 19260723

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