Energy decomposition analysis for exciplexes using absolutely localized molecular orbitals-Reference-Cited by-同舟云学术

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Energy decomposition analysis for exciplexes using absolutely localized molecular orbitals

Published:2018-02-14 Issue:6 Volume:148 Page:064105
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Ge Qinghui¹²,Mao Yuezhi¹,Head-Gordon Martin¹²^ORCID

Affiliation:

1. Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California at Berkeley, Berkeley, California 94720, USA

2. Chemical Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA

Funder

U.S. Department of Energy

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.5017510

Reference96 articles.

1. Quantum Mechanical Continuum Solvation Models

2. Theoretical treatment of solvent effects on electronic spectroscopy

3. Two-response-time model based on CM2/INDO/S2 electrostatic potentials for the dielectric polarization component of solvatochromic shifts on vertical excitation energies

4. A combinedab initio quantum mechanical and molecular mechanical method for carrying out simulations on complex molecular systems: Applications to the CH3Cl + Cl? exchange reaction and gas phase protonation of polyethers

5. A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations

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