Journal article

Bond dissociation energy of the phenol O-H bond from ab initio calculations

Gabriel da Silva, Chiung-Chu Chen, Joseph W Bozzelli

Chemical Physics Letters | ELSEVIER SCIENCE BV | Published : 2006

DOI: 10.1016/j.cplett.2006.04.022

University of Melbourne Researchers

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51Web of Science
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Keywords

Physics
Proton-Transfer
Chemistry, Physical
Chemistry
Density-Functional Theory
Physical Sciences
Coupled-Cluster Calculations
Molecules
Enthalpy
Atoms
Homolytic Dissociation
Physics, Atomic, Molecular & Chemical
Science & Technology
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