Work

TITAN: A Code for Modeling and Generating Electric Fields—Features and Applications to Enzymatic Reactivity

Year: 2019

Type: article

Source: Journal of Computational Chemistry

DOI: 10.1002/jcc.26072

Authors: Thijs Stuyver, Jing Huang, Dibyendu Mallick, David Danovich, Sason Shaik

Institutions: Vrije Universiteit Brussel, Hebrew University of Jerusalem, Putian University, Presidency University

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: Fonds Wetenschappelijk Onderzoek, Israel Science Foundation

Awards: G2396245266, Reactivity and transport properties of (di)radical(oid)s: A combined Valence Bond and Conceptual DFT study.

OpenAlex ID: W2979022294

FWCI: 3.772

Cites: 51

Cited by: 80

Related to: 10