Fulton JL - 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: fulton jl. J Chem Phys. 2017 Feb 28;146(8):084504. doi: 10.1063/1.4975608. J Chem Phys. 2017. PMID: 28249415

2

Hydration and contact ion pairing of Ca2+ with Cl- in supercritical aqueous solution.

Fulton JL, Chen Y, Heald SM, Balasubramanian M. Fulton JL, et al. J Chem Phys. 2006 Sep 7;125(9):094507. doi: 10.1063/1.2346548. J Chem Phys. 2006. PMID: 16965097

3

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: fulton jl. J Phys Chem B. 2006 Nov 30;110(47):23644-54. doi: 10.1021/jp064661f. J Phys Chem B. 2006. PMID: 17125322

4

Defining active catalyst structure and reaction pathways from ab initio molecular dynamics and operando XAFS: dehydrogenation of dimethylaminoborane by rhodium clusters.

Rousseau R, Schenter GK, Fulton JL, Linehan JC, Engelhard MH, Autrey T. Rousseau R, et al. Among authors: fulton jl. J Am Chem Soc. 2009 Aug 5;131(30):10516-24. doi: 10.1021/ja901480u. J Am Chem Soc. 2009. PMID: 19585992

5

Hydrated structure of Ag(I) ion from symmetry-dependent, K- and L-edge XAFS multiple scattering and molecular dynamics simulations.

Fulton JL, Kathmann SM, Schenter GK, Balasubramanian M. Fulton JL, et al. J Phys Chem A. 2009 Dec 17;113(50):13976-84. doi: 10.1021/jp9064906. J Phys Chem A. 2009. PMID: 19839611

6

Structure and dynamics of the hydration shells of the Zn(2+) ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations.

Cauët E, Bogatko S, Weare JH, Fulton JL, Schenter GK, Bylaska EJ. Cauët E, et al. Among authors: fulton jl. J Chem Phys. 2010 May 21;132(19):194502. doi: 10.1063/1.3421542. J Chem Phys. 2010. PMID: 20499974

7

Structure of hydronium (H3O+)/chloride (Cl-) contact ion pairs in aqueous hydrochloric acid solution: a Zundel-like local configuration.

Fulton JL, Balasubramanian M. Fulton JL, et al. J Am Chem Soc. 2010 Sep 15;132(36):12597-604. doi: 10.1021/ja1014458. J Am Chem Soc. 2010. PMID: 20731390

8

Probing the hydration structure of polarizable halides: a multiedge XAFS and molecular dynamics study of the iodide anion.

Fulton JL, Schenter GK, Baer MD, Mundy CJ, Dang LX, Balasubramanian M. Fulton JL, et al. J Phys Chem B. 2010 Oct 14;114(40):12926-37. doi: 10.1021/jp106378p. J Phys Chem B. 2010. PMID: 20849138

9

The aqueous Ca2+ system, in comparison with Zn2+, Fe3+, and Al3+: an ab initio molecular dynamics study.

Bogatko S, Cauët E, Bylaska E, Schenter G, Fulton J, Weare J. Bogatko S, et al. Chemistry. 2013 Feb 25;19(9):3047-60. doi: 10.1002/chem.201202821. Epub 2013 Jan 11. Chemistry. 2013. PMID: 23315704

10

Ion-pairing in aqueous CaCl2 and RbBr solutions: simultaneous structural refinement of XAFS and XRD data.

Pham VT, Fulton JL. Pham VT, et al. Among authors: fulton jl. J Chem Phys. 2013 Jan 28;138(4):044201. doi: 10.1063/1.4775588. J Chem Phys. 2013. PMID: 23387576

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