Partial Charges in Periodic Systems: Improving Electrostatic Potential (ESP) Fitting via Total Dipole Fluctuations and Multiframe Approaches

Academic Article

Publication Date:

2015

Short description:

Partial Charges in Periodic Systems: Improving Electrostatic Potential (ESP) Fitting via Total Dipole Fluctuations and Multiframe Approaches / Gabrieli, A., Sant, M., Demontis, P., Suffritti, G.B.. - In: JOURNAL OF CHEMICAL THEORY AND COMPUTATION. - ISSN 1549-9618. - 11:8(2015), pp. 3829-3843. [10.1021/acs.jctc.5b00503]

Iris type:

1.1 Articolo in rivista

List of contributors:

Gabrieli, Andrea; Sant, Marco; Demontis, Pierfranco; Suffritti, Giuseppe Baldovino

Handle:

https://iris.uniss.it/handle/11388/151973

Published in:

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

Journal