Classical/Ab initio molecular simulations and quasichemical approach to study hydrophobic and hydrophilic hydration phenomena.
Journal Article
·
· Pccp
OSTI ID:1143361
Abstract not provided.
- Research Organization:
- Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
- Sponsoring Organization:
- USDOE National Nuclear Security Administration (NNSA)
- DOE Contract Number:
- AC04-94AL85000
- OSTI ID:
- 1143361
- Report Number(s):
- SAND2008-3461J; 517676
- Journal Information:
- Pccp, Journal Name: Pccp
- Country of Publication:
- United States
- Language:
- English
Similar Records
Classical/ab initio molecular dynamics and quasichemical approach to the study of hydrophobic/hydrophilic hydration phenomena.
Ab initio molecular dynamics study of formate ion hydration.
Structure and dynamics of the hydration shells of the Zn[superscript 2+] ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations
Conference
·
Thu Jan 31 23:00:00 EST 2008
·
OSTI ID:1146138
Ab initio molecular dynamics study of formate ion hydration.
Journal Article
·
Mon Mar 31 23:00:00 EST 2003
· Proposed for publication in Journal of the American Chemical Society.
·
OSTI ID:923594
Structure and dynamics of the hydration shells of the Zn[superscript 2+] ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations
Journal Article
·
Fri Jul 23 00:00:00 EDT 2010
· J. Chem. Phys.
·
OSTI ID:1002480