A Quantum Mechanically Derived Force Field To Predict CO2 Adsorption on Calcite {10.4} in an Aqueous Environment

A. Silvestri; A. Budi; E. Ataman; M. H. M. Olsson; M. P. Andersson; S. L. S. Stipp; J. D. Gale; P. Raiteri

doi:10.1021/acs.jpcc.7b06700

A Quantum Mechanically Derived Force Field To Predict CO₂ Adsorption on Calcite {10.4} in an Aqueous Environment

A. Silvestri, A. Budi, E. Ataman, M. H. M. Olsson, M. P. Andersson, S. L. S. Stipp, J. D. Gale, P. Raiteri

Kemisk Institut

11 Citationer (Scopus)

Originalsprog	Engelsk
Tidsskrift	The Journal of Physical Chemistry Part C
Vol/bind	121
Udgave nummer	43
Sider (fra-til)	24025-24035
Antal sider	11
ISSN	1932-7447
DOI	https://doi.org/10.1021/acs.jpcc.7b06700
Status	Udgivet - 2 nov. 2017

Adgang til dokumentet

10.1021/acs.jpcc.7b06700

Citationsformater

@article{a9ebda13df004e51bc522e7f0d0938d5,

title = "A Quantum Mechanically Derived Force Field To Predict CO2 Adsorption on Calcite {10.4} in an Aqueous Environment",

author = "A. Silvestri and A. Budi and E. Ataman and Olsson, {M. H. M.} and Andersson, {M. P.} and Stipp, {S. L. S.} and Gale, {J. D.} and P. Raiteri",

year = "2017",

month = nov,

day = "2",

doi = "10.1021/acs.jpcc.7b06700",

language = "English",

volume = "121",

pages = "24025--24035",

journal = "The Journal of Physical Chemistry Part C",

issn = "1932-7447",

publisher = "American Chemical Society",

number = "43",

}

TY - JOUR

T1 - A Quantum Mechanically Derived Force Field To Predict CO2 Adsorption on Calcite {10.4} in an Aqueous Environment

AU - Silvestri, A.

AU - Budi, A.

AU - Ataman, E.

AU - Olsson, M. H. M.

AU - Andersson, M. P.

AU - Stipp, S. L. S.

AU - Gale, J. D.

AU - Raiteri, P.

PY - 2017/11/2

Y1 - 2017/11/2

U2 - 10.1021/acs.jpcc.7b06700

DO - 10.1021/acs.jpcc.7b06700

M3 - Journal article

SN - 1932-7447

VL - 121

SP - 24025

EP - 24035

JO - The Journal of Physical Chemistry Part C

JF - The Journal of Physical Chemistry Part C

IS - 43

ER -

A Quantum Mechanically Derived Force Field To Predict CO2 Adsorption on Calcite {10.4} in an Aqueous Environment

Adgang til dokumentet

Fingeraftryk

Citationsformater

A Quantum Mechanically Derived Force Field To Predict CO₂ Adsorption on Calcite {10.4} in an Aqueous Environment