Work

QM/MM Protocol for Direct Molecular Dynamics of Chemical Reactions in Solution: The Water-Accelerated Diels–Alder Reaction

Year: 2015

Type: article

Source: Journal of Chemical Theory and Computation

DOI: 10.1021/acs.jctc.5b01029

Authors: Zhongyue Yang, Charles Doubleday, K. N. Houk

Institutions: University of California, Los Angeles, Columbia University

Language: English

Topic: Advanced Physical and Chemical Molecular Interactions

Subfield: Physical and Theoretical Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: closed

Funder: National Science Foundation

Awards: Dynamics of Organic Reactions, Experimental and Theoretical Investigations of Organic Reaction Rates and Mechanisms, Dynamics of Organic Reactions, XSEDE: eXtreme Science and Engineering Discovery Environment, G7006909709

OpenAlex ID: W2444279518

FWCI: 5.462

Cites: 75

Cited by: 59

Related to: 10