A New Force Field of Formamide and the Effect of the Dielectric Constant on Miscibility
File(s)formamide.pdf (500.6 KB) supplementary-formamida.pdf (88.86 KB)
Accepted version
Accepted version
Author(s)
Perez de la Luz, Alexander
Arlette Mendez-Maldonado, G
Nunez-Rojas, Edgar
Bresme, Fernando
Alejandre, Jose
Type
Journal Article
Date Issued
2015-06-01
Date Acceptance
2015-04-20
Citation
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2015, 11 (6), pp.2792-2800
ISSN
1549-9618
Publisher
AMER CHEMICAL SOC
Start Page
2792
End Page
2800
Journal / Book Title
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
Volume
11
Issue
6
Copyright Statement
Copyright © 2015 American Chemical Society
Sponsor
Engineering & Physical Science Research Council (EPSRC)
Engineering & Physical Science Research Council (EPSRC)
Identifier
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000356201700038&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
Grant Number
EP/J003859/1
EP/K039946/1
Subjects
Science & Technology
Physical Sciences
Chemistry, Physical
Physics, Atomic, Molecular & Chemical
Chemistry
Physics
LIQUID AMIDES
SURFACE-TENSION
FREE-ENERGY
MOLECULAR SIMULATION
POTENTIAL FUNCTIONS
DENSITY
EQUILIBRIA
PEPTIDES
CHARGES
ALKANES
Publication Status
Published