Application of the Quantum Cluster Equilibrium (QCE) Model for the Liquid Phase of Primary Alcohols Using B3LYP and B3LYP-D DFT Methods-Reference-Cited by-同舟云学术

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Application of the Quantum Cluster Equilibrium (QCE) Model for the Liquid Phase of Primary Alcohols Using B3LYP and B3LYP-D DFT Methods

Published:2011-03-18 Issue:14 Volume:115 Page:3936-3941
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Matisz Gergely¹²,Kelterer Anne-Marie³,Fabian Walter M. F.²,Kunsági-Máté Sándor¹

Affiliation:

1. Department of General and Physical Chemistry, University of Pécs, Pécs H-7624, Hungary

2. Institute of Chemistry, Karl-Franzens University Graz, Heinrichstrasse 28, Graz A-8010, Austria

3. Institute of Physical and Theoretical Chemistry, Graz University of Technology, Stremayrgasse 9/I, A-8010 Graz, Austria

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/jp109950h

Reference58 articles.

1. Quantum Cluster Equilibrium Theory Applied in Hydrogen Bond Number Studies of Water. 1. Assessment of the Quantum Cluster Equilibrium Model for Liquid Water

2. Quantum Cluster Equilibrium Theory Applied in Hydrogen Bond Number Studies of Water. 2. Icebergs in a Two-Dimensional Water Continuum?

3. Experimental and theoretical determination of the temperature dependence of deuteron and oxygen quadrupole coupling constants of liquid water

4. Quantum cluster equilibrium theory of liquids: Freezing of QCE/3-21G water to tetrakaidecahedral “Bucky-ice”

5. Quantum cluster equilibrium theory of liquids: light and heavy QCE/3-21G model water

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