Journal article

Zero temperature quantum properties of small protonated water clusters (H2O)(n)H+ (n=1-5)

Abstract:: The structure and vibrational motion of the protonated water clusters (H2O)nH+ (n=1-5) were studied using the OSS3 interaction potential and the diffusion Monte Carlo (DMC) method. The aim was to simulate their ground state eigenfunctions. An attempt was also made to compute the ground state energy for neutral water clusters using the same potential to obtain reference values for their proton affinity. The resultant data wer analyzed in detail.

Publication status:: Published

Actions

Email

Email this record

Send the bibliographic details of this record to your email address.

Your Email
Please enter the email address that the record information will be sent to.

-
Your message (optional)
Please add any additional information to be included within the email.
Cite

Cite this record

APA Style

Mella, M., & Clary, D. (2003). Zero temperature quantum properties of small protonated water clusters (H2O)(n)H+ (n=1-5). JOURNAL OF CHEMICAL PHYSICS, 119(19), 10048–10062.

MLA Style

Mella, M., and D. Clary. “Zero Temperature Quantum Properties of Small Protonated Water Clusters (H2O)(n)H+ (n=1-5).” JOURNAL OF CHEMICAL PHYSICS, vol. 119, no. 19, 2003, pp. 10048–62.

Chicago Style

Mella, M, and D Clary. 2003. “Zero Temperature Quantum Properties of Small Protonated Water Clusters (H2O)(n)H+ (n=1-5).” JOURNAL OF CHEMICAL PHYSICS 119 (19): 10048–62.
Share
Print

Access Document

Publisher copy:: 10.1063/1.1618222

Authors

+ Mella, M More by this author

Role:: Author

+ Clary, D More by this author

Institution:: University of Oxford
Division:: MPLS
Department:: Chemistry
Sub department:: Physical & Theoretical Chem
Role:: Author

Journal:: JOURNAL OF CHEMICAL PHYSICS More from this journal
Volume:: 119
Issue:: 19
Pages:: 10048-10062
Publication date:: 2003-11-15
DOI:: 10.1063/1.1618222
ISSN:: 0021-9606

Language:: English
Pubs id:: pubs:38817
UUID:: uuid:804534ec-24a3-469b-8820-e2492e3baa29
Local pid:: pubs:38817
Source identifiers:: 38817
Deposit date:: 2013-11-16

Terms of use

Copyright date:: 2003

Licence:: Terms and Conditions of Use for Oxford University Research Archive

Views and Downloads

About views and downloads

If you are the owner of this record, you can report an update to it here: Report update to this record

TO TOP