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AMOEBA force field

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4 results in Keywords: AMOEBA force field

Physical Chemistry

Hydrogen bond blueshifts in nitrile vibrational spectra are dictated by hydrogen bond geometry and dynamics

Jacob Kirsh, Jacek Kozuch

Version 1 posted 26 August 2024

172

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Theoretical and Computational Chemistry

Massively Parallel Implementation of Steered Molecular Dynamics in Tinker-HP: Comparisons of Polarizable and Non-Polarizable Simulations of Realistic Systems

Frédéric Célerse, Louis Lagardere, Étienne Derat, Jean-Philip Piquemal

Version 2 posted 24 April 2019

1,676

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Physical Chemistry

Infrared Hide-and-Seek: Vibrational Excitons Conceal Surfactants at the Air/Water Interface

Kimberly A. Carter-Fenk, Kevin Carter-Fenk, Michelle E Fiamingo, Heather Allen, John M. Herbert

Version 2 posted 01 March 2021

748

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Theoretical and Computational Chemistry

Investigating the Properties of Fatty Acid-based Ionic Liquids: Advancement in AMOEBA Force Field

Sahar Heidari, Hedieh Torabifard

Version 1 posted 03 May 2024

133

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