Deprotonation of Solvated Formic Acid: Car−Parrinello and Metadynamics Simulations-Reference-Cited by-同舟云学术

Deprotonation of Solvated Formic Acid: Car−Parrinello and Metadynamics Simulations

Published:2006-01-14 Issue:5 Volume:110 Page:2325-2331
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Lee Jung-Goo¹,Asciutto Eliana¹,Babin Volodymyr¹,Sagui Celeste¹,Darden Thomas¹,Roland Christopher¹

Affiliation:

1. Center for High Performance Simulations (CHiPS) and Department of Physics, North Carolina State University, Raleigh, North Carolina 27695 and the Laboratory for Structural Biology, National Institute of Environmental and Health Sciences (NIEHS), Research Triangle Park, North Carolina 27709

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp055809i

Reference42 articles.

1. Ab Initio Study of Aqueous Hydrochloric Acid

2. Dynamics of Water Molecules in the Br- Solvation Shell: An ab Initio Molecular Dynamics Study

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