Garrett BC - Search Results

1

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: garrett bc. J Chem Phys. 2007 Aug 7;127(5):051102. doi: 10.1063/1.2768343. J Chem Phys. 2007. PMID: 17688327

2

Multicomponent dynamical nucleation theory and sensitivity analysis.

Kathmann SM, Schenter GK, Garrett BC. Kathmann SM, et al. Among authors: garrett bc. J Chem Phys. 2004 May 15;120(19):9133-41. doi: 10.1063/1.1695323. J Chem Phys. 2004. PMID: 15267849

3

Activation energies and potentials of mean force for water cluster evaporation.

Kathmann SM, Palmer BJ, Schenter GK, Garrett BC. Kathmann SM, et al. Among authors: garrett bc. J Chem Phys. 2008 Feb 14;128(6):064306. doi: 10.1063/1.2837282. J Chem Phys. 2008. PMID: 18282037

4

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

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

5

Ion-induced nucleation: the importance of chemistry.

Kathmann SM, Schenter GK, Garrett BC. Kathmann SM, et al. Among authors: garrett bc. Phys Rev Lett. 2005 Mar 25;94(11):116104. doi: 10.1103/PhysRevLett.94.116104. Epub 2005 Mar 24. Phys Rev Lett. 2005. PMID: 15903875

6

Sensitivity analysis of thermodynamic properties of liquid water: a general approach to improve empirical potentials.

Iordanov TD, Schenter GK, Garrett BC. Iordanov TD, et al. Among authors: garrett bc. J Phys Chem A. 2006 Jan 19;110(2):762-71. doi: 10.1021/jp0538868. J Phys Chem A. 2006. PMID: 16405351

7

Molecular simulations of the transport of molecules across the liquid/vapor interface of water.

Garrett BC, Schenter GK, Morita A. Garrett BC, et al. Chem Rev. 2006 Apr;106(4):1355-74. doi: 10.1021/cr040370w. Chem Rev. 2006. PMID: 16608184 No abstract available.

8

The OH radical-H2O molecular interaction potential.

Du S, Francisco JS, Schenter GK, Iordanov TD, Garrett BC, Dupuis M, Li J. Du S, et al. Among authors: garrett bc. J Chem Phys. 2006 Jun 14;124(22):224318. doi: 10.1063/1.2200701. J Chem Phys. 2006. PMID: 16784285

9

Comment on "Quantum nature of the sign preference in ion-induced nucleation".

Kathmann SM, Schenter GK, Garrett BC. Kathmann SM, et al. Among authors: garrett bc. Phys Rev Lett. 2007 Mar 9;98(10):109603; discussion 109604. doi: 10.1103/PhysRevLett.98.109603. Epub 2007 Mar 9. Phys Rev Lett. 2007. PMID: 17358583 No abstract available.

10

Many-body decomposition of the binding energies for OH.(H2O)2 and OH.(H2O)3 complexes.

Du S, Francisco JS, Schenter GK, Garrett BC. Du S, et al. Among authors: garrett bc. J Chem Phys. 2008 Feb 28;128(8):084307. doi: 10.1063/1.2828522. J Chem Phys. 2008. PMID: 18315046

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