Work

Development of a “First Principles” Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient

Year: 2013

Type: article

Source: Journal of Chemical Theory and Computation

DOI: 10.1021/ct400863t

Authors: Volodymyr Babin, Claude Leforestier, Francesco Paesani

Institutions: University of California San Diego, Université Montpellier 2

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: closed

Funders: National Science Foundation, Agence Nationale de la Recherche, Division of Chemistry

Awards: Molecular simulations of water uptake and nitrogen oxides reactions on aerosol surfaces, Study of a first principles potential for water

OpenAlex ID: W2095198441

FWCI: 11.46

Cites: 57

Cited by: 553

Related to: 10