Link to the University of Pittsburgh Homepage
Link to the University Library System Homepage Link to the Contact Us Form

Theoretical study of the n-body interaction energies of the ring, cage and prism forms of (H<inf>2</inf>O)<inf>6</inf>

Pedulla, JM and Kim, K and Jordan, KD (1998) Theoretical study of the n-body interaction energies of the ring, cage and prism forms of (H<inf>2</inf>O)<inf>6</inf>. Chemical Physics Letters, 291 (1-2). 78 - 84. ISSN 0009-2614

[img] Plain Text (licence)
Available under License : See the attached license file.

Download (1kB)

Abstract

The MP2 method is used together with basis sets as large as aug-cc-pVQZ to calculate the binding energies and the various n-body interaction energies of the ring, cage and prism forms of (H O) . It is found that nearly all of the energy changes due to adoption of basis sets more flexible than aug-cc-pVDZ and to the inclusion of electron correlation effects are due to the 2-body interactions. 2 6


Share

Citation/Export:
Social Networking:
Share |

Details

Item Type: Article
Status: Published
Creators/Authors:
CreatorsEmailPitt UsernameORCID
Pedulla, JM
Kim, K
Jordan, KDjordan@pitt.eduJORDAN
Date: 10 July 1998
Date Type: Publication
Journal or Publication Title: Chemical Physics Letters
Volume: 291
Number: 1-2
Page Range: 78 - 84
DOI or Unique Handle: 10.1016/s0009-2614(98)00582-x
Schools and Programs: Dietrich School of Arts and Sciences > Chemistry
Refereed: Yes
ISSN: 0009-2614
Date Deposited: 29 Mar 2013 15:36
Last Modified: 30 Mar 2021 12:55
URI: http://d-scholarship.pitt.edu/id/eprint/17896

Metrics

Monthly Views for the past 3 years

Plum Analytics

Altmetric.com


Actions (login required)

View Item View Item