Format
Sort by
Items per page

Send to

Choose Destination

Links from PubMed

Items: 1 to 20 of 332

1.

Path integral evaluation of H diffusion on Ni(100) surface based on the quantum instanton approximation.

Wang W, Zhao Y.

J Chem Phys. 2009 Mar 21;130(11):114708. doi: 10.1063/1.3097132.

PMID:
19317556
2.

Quantum instanton evaluations of surface diffusion, interior migration, and surface-subsurface transport for H/Ni.

Wang W, Zhao Y.

J Chem Phys. 2010 Feb 14;132(6):064502. doi: 10.1063/1.3317475.

PMID:
20151746
4.

Quantum-instanton evaluation of the kinetic isotope effects.

Vanícek J, Miller WH, Castillo JF, Aoiz FJ.

J Chem Phys. 2005 Aug 1;123(5):054108.

PMID:
16108632
7.

Direct evaluation of the temperature dependence of the rate constant based on the quantum instanton approximation.

Buchowiecki M, Vanícek J.

J Chem Phys. 2010 May 21;132(19):194106. doi: 10.1063/1.3425617.

PMID:
20499950
8.
9.

Hybrid quantum/classical path integral approach for simulation of hydrogen transfer reactions in enzymes.

Wang Q, Hammes-Schiffer S.

J Chem Phys. 2006 Nov 14;125(18):184102.

PMID:
17115733
10.
11.

Dissociation rates of H2 on a Ni(100) surface: the role of the physisorbed state.

Wang W, Zhao Y.

Phys Chem Chem Phys. 2014 Jul 14;16(26):13318-28. doi: 10.1039/c4cp01705f.

PMID:
24869635
12.

Path integral evaluation of equilibrium isotope effects.

Zimmermann T, Vanícek J.

J Chem Phys. 2009 Jul 14;131(2):024111. doi: 10.1063/1.3167353.

PMID:
19603974
13.

Quantum diffusion of hydrogen and muonium atoms in liquid water and hexagonal ice.

Markland TE, Habershon S, Manolopoulos DE.

J Chem Phys. 2008 May 21;128(19):194506. doi: 10.1063/1.2925792.

PMID:
18500879
14.

Reaction Rate Constants of CH4(ads) ⇌ CH3(ads) + H(ads) on Ni(111): The Effect of Lattice Motion.

Wang W, Zhao Y.

J Phys Chem A. 2015 Dec 31;119(52):12953-61. doi: 10.1021/acs.jpca.5b08787. Epub 2015 Dec 18.

PMID:
26650500
16.
17.
18.

First-principles study of the H(2) interaction with transition metal (Ti, V, Ni) doped Mg(0001) surface: Implications for H-storage materials.

Banerjee S, Pillai CG, Majumder C.

J Chem Phys. 2008 Nov 7;129(17):174703. doi: 10.1063/1.3000673.

PMID:
19045366
19.

The dissociation and recombination rates of CH4 through the Ni(111) surface: The effect of lattice motion.

Wang W, Zhao Y.

J Chem Phys. 2017 Jul 28;147(4):044703. doi: 10.1063/1.4995299.

PMID:
28764359
20.

Supplemental Content

Support Center