Kathmann SM - 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: kathmann sm. 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. J Chem Phys. 2004 May 15;120(19):9133-41. doi: 10.1063/1.1695323. J Chem Phys. 2004. PMID: 15267849

3

Ion-induced nucleation: the importance of chemistry.

Kathmann SM, Schenter GK, Garrett BC. Kathmann SM, et al. 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

4

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

Kathmann SM, Schenter GK, Garrett BC. Kathmann SM, et al. 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.

5

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: kathmann sm. J Chem Phys. 2008 Jan 21;128(3):034508. doi: 10.1063/1.2820768. J Chem Phys. 2008. PMID: 18205511

6

On the determination of monomer dissociation energies of small water clusters from photoionization experiments.

Kathmann SM, Schenter GK, Xantheas SS. Kathmann SM, et al. J Phys Chem A. 2008 Mar 6;112(9):1851-3. doi: 10.1021/jp710624r. Epub 2008 Feb 12. J Phys Chem A. 2008. PMID: 18266345

7

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

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

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. 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

Experimental and computational studies on collective hydrogen dynamics in ammonia borane: incoherent inelastic neutron scattering.

Kathmann SM, Parvanov V, Schenter GK, Stowe AC, Daemen LL, Hartl M, Linehan J, Hess NJ, Karkamkar A, Autrey T. Kathmann SM, et al. J Chem Phys. 2009 Jan 14;130(2):024507. doi: 10.1063/1.3042270. J Chem Phys. 2009. PMID: 19154038

10

Neutron powder diffraction and molecular simulation study of the structural evolution of ammonia borane from 15 to 340 K.

Hess NJ, Schenter GK, Hartman MR, Daemen LL, Proffen T, Kathmann SM, Mundy CJ, Hartl M, Heldebrant DJ, Stowe AC, Autrey T. Hess NJ, et al. Among authors: kathmann sm. J Phys Chem A. 2009 May 14;113(19):5723-35. doi: 10.1021/jp900839c. J Phys Chem A. 2009. PMID: 19374410

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