(Q23923377)

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Statistical thermodynamics of internal rotation in a hindering potential of mean force obtained from computer simulations

journal article published in 2003

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19 July 2017

Statistical thermodynamics of internal rotation in a hindering potential of mean force obtained from computer simulations (English)

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12 July 2017

NIOSH Health Effects Laboratory Division

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HELD

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25 September 2023

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19 July 2017

29 March 2020

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4

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Vladimir Hnizdo

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1

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Vladimir Hnizdo

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author name string

Adam Fedorowicz

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2

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Harshinder Singh

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3

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30 July 2003

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published in

Journal of Computational Chemistry

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volume

24

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issue

10

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page(s)

1172-1183

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on focus list of Wikimedia project

Wikimedia–NIOSH collaboration

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cites work

A simple approximation for the vibrational partition function of a hindered internal rotation

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Synergistic inactivation of plasma alpha1-proteinase inhibitor by aldehydes of cigarette smoke with styrene oxide and 1,2-dichloroethane

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Dynamics of a type VI reverse turn in a linear peptide in aqueous solution

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7 January 2021

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The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin

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The Entropy of Ethane and the Third Law of Thermodynamics. Hindered Rotation of Methyl Groups

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7 January 2021

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Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

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Comment on "Using a Convenient, Quantitative Model for Torsional Entropy To Establish Qualitative Trends for Molecular Processes That Restrict Conformational Freedom"

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7 January 2021

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Monte Carlo vs Molecular Dynamics for Conformational Sampling

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Statistical thermodynamics of bond torsional modes

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7 January 2021

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Statistical thermodynamics of hindered rotation from computer simulations

1 reference

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https://api.crossref.org/works/10.1002%2FJCC.10289

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7 January 2021

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Miscellanea probabilistic model for two dependent circular variables

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7 January 2021

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The Occurrence of Singularities in the Elastic Frequency Distribution of a Crystal

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7 January 2021

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Identifiers

DOI

10.1002/JCC.10289

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DBLP publication ID

journals/jcc/HnizdoFSD03

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DBLP Dataset 2021-01-02

retrieved

28 January 2021

NIOSHTIC-2 ID

20023024

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PubMed publication ID

12820124

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(Q23923377)

Statistical thermodynamics of internal rotation in a hindering potential of mean force obtained from computer simulations

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