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在“Elsevier电子期刊”中，命中：629条，耗时：0.0279874 秒

在所有数据库中总计命中：1,313条

1.InfiniCharges: A tool for generating partial charges via the simultaneous fit of multiframe electrostatic potential (ESP) and total dipole fluctuations (TDF)

作者：Marco Sant ; Andrea Gabrieli ; ^{agabrieli@uniss.it" class="auth_mail" title="E-mail the corresponding author} ; Pierfranco Demontis ; Giuseppe B. Suffritti

关键词：Partial charges ; ESP fitting ; DM-REPEAT ; MOFs

刊名：Computer Physics Communications

出版年：2016

2.Theoretical calculation of the physico-chemical properties of 1-butyl-4-methylpyridinium based ionic liquids

作者：Artur Giełdoń^a ; ^b ; Maciej Bobrowski^b ; Aleksandra Bielicka-Giełdoń^a ; Cezary Czaplewski^a ; ^b ; ^{cezary.czaplewski@ug.edu.pl}

关键词：Molecular dynamics ; Ionic liquids ; 1-Butyl-4-methylpyridinium ; ([b4mpy][BF4]) ; ([b4mpy][Cl]) ; Charge distribution ; Density calculation ; Melting point calculation

刊名：Journal of Molecular Liquids

出版年：2017

3.Monolayers of poly(amido amine) dendrimers on mica - In situ streaming potential measurements

作者：Aneta Michna^a ; ^{ncmichna@cyf-kr.edu.pl" class="auth_mail" title="E-mail the corresponding author} ; Zbigniew Adamczyk^a ; ^{ncadamcz@cyf-kr.edu.pl" class="auth_mail" title="E-mail the corresponding author} ; Kamila Sofińska^a ; ^{ncsofins@cyf-kr.edu.pl" class="auth_mail" title="E-mail the corresponding author} ; Katarzyna Matusik^b ; ^{kasiamatusik@gmail.com" class="auth_mail" title="E-mail the corresponding author}

关键词：Poly(amido amine) dendrimers of generation 8 ; PAMAMG8 ; Streaming potential of dendrimer monolayers ; AFM ; Electrophoretic mobility of dendrimers

刊名：Journal of Colloid and Interface Science

出版年：2017

4.The effect of various quantum mechanically derived partial atomic charges on the bulk properties of chloride-based ionic liquids

作者：Amin Reza Zolghadr^a ; ^{arzolghadr@shirazu.ac.ir" class="auth_mail" title="E-mail the corresponding author} ; Mohammad Hadi Ghatee^a ; Fatemeh Moosavi^b

关键词：Partial charges ; Molecular dynamics simulations ; Chloride ionic liquids ; Force fields

刊名：Chemical Physics

出版年：2016

5.Routine Postoperative Laboratory Tests Are Unnecessary After Partial Knee Arthroplasty

作者：Julie L. Shaner ; MD^a ; Ammar R. Karim ; DO^b ; David S. Casper ; MD^a ; Christopher J. Ball ; MS^a ; Eric M. Padegimas ; MD^a ; Jess H. Lonner ; MD^a ; ^c ;

关键词：partial knee arthroplasty ; Medicare charges ; unicompartmental ; patellofemoral ; bicompartmental ; laboratory studies

刊名：The Journal of Arthroplasty

出版年：2016

6.Topological charge identification of partially coherent light diffracted by a triangular aperture

作者：P.A. Brandã ; o ; ^{paulocabf@gmail.com" class="auth_mail" title="E-mail the corresponding author} ; S.B. Cavalcanti

关键词：Coherence ; Topological charge ; Mutual coherence function ; Triangular aperture ; Partially coherent light

刊名：Physics Letters A

出版年：2016

7.Why truck distance taxes are contagious and drive fuel taxes to the bottom

作者：Svante Mandell^a ; ^{Svante.Mandell@vti.se" class="auth_mail" title="E-mail the corresponding author} ; Stef Proost^b ; ^{Stef.Proost@kuleuven.be" class="auth_mail" title="E-mail the corresponding author}

关键词：Diesel taxes ; Fuel taxes ; Kilometre charges ; Tax competition ; Pricing of trucks

刊名：Journal of Urban Economics

出版年：2016

8.Direct minimization: Alternative to the traditional norm to derive partial atomic charges

作者：Thomas Haschka^a ; ^b ; ^{haschka@gmail.com" class="auth_mail" title="E-mail the corresponding author} ; Eric Hé ; non^c ; ^{eric.henon@univ-reims.fr" class="auth_mail" title="E-mail the corresponding author} ; Christophe Jaillet^d ; ^{christophe.jaillet@univ-reims.fr" class="auth_mail" title="E-mail the corresponding author} ; Laurent Martiny^a ; ^{laurent.martiny@univ-reims.fr" class="auth_mail" title="E-mail the corresponding author} ; Catherine Etchebest^b ; ^{catherine.etchebest@inserm.fr" class="auth_mail" title="E-mail the corresponding author} ; Manuel Dauchez^a ; ^{manuel.dauchez@univ-reims.fr" class="auth_mail" title="E-mail the corresponding author}

关键词：Partial charges ; L1L1 metric ; ESP fitting ; Ab initio calculations ; Minimization

刊名：Computational and Theoretical Chemistry

出版年：2015

9.Effect of the partial charge distributions in the ZIF-8 framework on the adsorption of CO₂ as assessed by Gibbs Ensemble Monte Carlo simulations

作者：P. Puphasuk^a ; ^{ppikul@kku.ac.th" class="auth_mail" title="E-mail the corresponding author} ; T. Remsungnen^b

刊名：Chemical Physics Letters

出版年：2016

10.Monte Carlo simulations of water solubility in ionic liquids: A force field assessment

作者：Eliseo Marin-Rimoldi^a ; Jindal K. Shah^b ; Edward J. Maginn^a ; ^{ed@nd.edu" class="auth_mail" title="E-mail the corresponding author}

关键词：Ionic liquids ; Water solubility ; Monte Carlo ; Force field ; Absorption ; Gibbs ensemble

刊名：Fluid Phase Equilibria

出版年：2016

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