Competing quantum effects in the free energy profiles and diffusion rates of hydrogen and deuterium molecules through clathrate hydrates.

Cendagorta, Joseph R; Powers, Anna; Hele, Timothy J H; Marsalek, Ondrej; Bacic, Zlatko; Tuckerman, Mark E

Cendagorta, Joseph R; Powers, Anna; Hele, Timothy J H; Marsalek, Ondrej; Bacic, Zlatko; Tuckerman, Mark E.

Afiliación

Cendagorta JR; Department of Chemistry, New York University, New York, NY 10003, USA. zlatko.bacic@nyu.edu.
Powers A; Department of Chemistry, New York University, New York, NY 10003, USA. zlatko.bacic@nyu.edu.
Hele TJ; Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY 14850, USA.
Marsalek O; Department of Chemistry, Stanford University, 333 Campus Drive, Stanford, CA 94305, USA.
Bacic Z; Department of Chemistry, New York University, New York, NY 10003, USA. zlatko.bacic@nyu.edu and NYU-ECNU Center for Computational Chemistry at NYU Shanghai, 3663 Zhongshan Road North, Shanghai, 200062, China.
Tuckerman ME; NYU-ECNU Center for Computational Chemistry at NYU Shanghai, 3663 Zhongshan Road North, Shanghai, 200062, China and Department of Chemistry and Courant Institute of Mathematical Sciences, New York University, New York, NY 10003, USA. mark.tuckerman@nyu.edu.

Phys Chem Chem Phys ; 18(47): 32169-32177, 2016 Nov 30.

Article en En | MEDLINE | ID: mdl-27849073

Buscar en Google

Imprimir

XML

PubMed Links

Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: Phys Chem Chem Phys Asunto de la revista: BIOFISICA / QUIMICA Año: 2016 Tipo del documento: Article País de afiliación: Estados Unidos

Buscar en Google

Imprimir

XML

PubMed Links