From Intermolecular Poses to Thermodynamics Using Subdivided Spheres

The Journal of Physical Chemistry B 2026 Open access

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Authors: Isabel Vinterbladh, Jordan Bye, Robin Curtis, Harold W. Hatch, Sergei Grudinin, Mikael Lund
DOI: 10.1021/acs.jpcb.6c01665
Cited by: 1
References: 45

Abstract

-body simulations, increasing their performance by orders of magnitude.

Fields of Study & Subjects

Advanced Physical and Chemical Molecular Interactions Graph theory and applications Quasicrystal Structures and Properties

Publication details

Journal / source
The Journal of Physical Chemistry B
Publisher
American Chemical Society (ACS)
Volume
130
Issue
27
Pages
6751–6758
Publication date
9 June 2026
Language
EN