Ground and excited states of naphthalene–water (naphtha–W6) clusters: a computational study
Author:
Affiliation:
1. Institute of Chemical Sciences
2. School of Engineering and Physical Sciences
3. Heriot Watt University
4. Edinburgh
5. UK
Abstract
An MP2 and DFT study of the structures of naphthalene–water hexamer clusters has been performed for both the prism and cage forms of the cluster.
Funder
European Research Council
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2015/RA/C5RA01894C
Reference64 articles.
1. CCSD(T) Complete Basis Set Limit Relative Energies for Low-Lying Water Hexamer Structures
2. A theoretical study of water clusters: the relation between hydrogen-bond topology and interaction energy from quantum-chemical computations for clusters with up to 22 molecules
3. Theoretical IR Spectra for Water Clusters (H2O)n (n = 6−22, 28, 30) and Identification of Spectral Contributions from Different H-Bond Conformations in Gaseous and Liquid Water
4. On the stability of dense versus cage-shaped water clusters: Quantum-chemical investigations of zero-point energies, free energies, basis-set effects and IR spectra of (H2O)12 and (H2O)20
5. Characterization of a cage form of the water hexamer
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