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在“Elsevier电子期刊”中，命中：111条，耗时：0.0519758 秒

在所有数据库中总计命中：265条

1.Predictive coarse-graining

作者：Markus Schö ; berl^a ; ^{m.schoeberl@tum.de} ; Nicholas Zabaras^b ; ^c ; ^{nzabaras@gmail.com} ; Phaedon-Stelios Koutsourelakis^a ; ^{p.s.koutsourelakis@tum.de}

关键词：Coarse-graining ; Generative models ; Bayesian ; Uncertainty quantification ; SPC/E water ; Lattice systems

刊名：Journal of Computational Physics

出版年：2017

2.Studies on the influence of β-cyclodextrin on graphene oxide and its synergistic activity to the electrochemical detection of nitrobenzene

作者：Murugan Velmurugan ; Natarajan Karikalan ; Shen-Ming Chen ; ^{smchen78@ms15.hinet.net} ; Zi-Chi Dai

关键词：Screen-printed carbon electrode ; Graphene oxide ; β-cyclodextrin composite ; Nitrobenzene ; Electrochemical sensor ; Linear sweep voltammetry

刊名：Journal of Colloid and Interface Science

出版年：2017

3.Synthesis and electrochemical characterization of nanostructured magnetic molecularly imprinted polymers for 17-β-Estradiol determination

作者：Abdellatif Ait Lahcen^a ; ^bAuthor Vitae ; Abd Almonam Baleg^aAuthor Vitae ; Priscilia Baker^aAuthor Vitae ; Emmanuel Iwuoha^aAuthor Vitae ; Aziz Amine^b ; ^{azizamine@yahoo.fr} ; ^{a.amine@univh2m.ac.ma}Author Vitae

关键词：17-β-Estradiol ; Molecularly imprinted polymers ; Magnetite nanoparticles ; Square &ndash ; wave voltammetry ; Screen printed carbon electrode

刊名：Sensors and Actuators B: Chemical

出版年：2017

4.Development of electrochemical sensor for the determination of palladium ions (Pd²⁺) using flexible screen printed un-modified carbon electrode

作者：Murugan Velmurugan^a ; Balamurugan Thirumalraj^a ; Shen-Ming Chen^a ; ^b ; ^{smchen78@ms15.hinet.net" class="auth_mail" title="E-mail the corresponding author} ; Fahad M.A. Al-Hemaid^b ; M. Ajmal Ali^b ; Mohamed S. Elshikh^b

关键词：Un-modified screen printed carbon electrode ; Adsorption ; Electrochemical determination ; Differential plus voltammetry ; Heavy metal ions biosensor

刊名：Journal of Colloid and Interface Science

出版年：2017

5.Dielectric properties of SPC/E and TIP4P under the static electric field and microwave field

作者：Di Li ; Guo-zhu Jia ; ^{jia1689500@126.com" class="auth_mail" title="E-mail the corresponding author}

关键词：SPC/E ; TIP4P ; Microwave ; Dielectric properties ; Molecular dynamics

刊名：Physica A: Statistical Mechanics and its Applications

出版年：2016

6.Molecular dynamics simulation for self-diffusion coefficients of ginger bioactive compounds in subcritical water with and without ethanol

作者：Nor Ilia Anisa^a ; ^b ; Noor Azian Morad^a ; ^b ; ^{azian.morad@gmail.com" class="auth_mail" title="E-mail the corresponding author} ; Yoshio Iwai^c ; Mohd Halim Shah Ismail^d

关键词：OPLS/AA ; all-atom optimised-potentials ; SPC/E ; extended simple point charge ; MD ; molecular dynamics ; NPT ; isothermal&ndash ; isobaric ensemble ; NVT ; canonical ensemble ; MSD ; mean squared displacement ; SD ; standard deviation ; ANOVA ; analysis of variance ; RDF ; radial distribution function

刊名：Fluid Phase Equilibria

出版年：2016

7.Atomistic water models: Aqueous thermodynamic properties from ambient to supercritical conditions

作者：I. Shvab¹ ; Richard J. Sadus ; ^{rsadus@swin.edu.au" class="auth_mail" title="E-mail the corresponding author}

关键词：Molecular dynamics ; Monte Carlo simulation ; Polarization ; Heat capacity ; Vapor-liquid equilibria

刊名：Fluid Phase Equilibria

出版年：2016

8.Molecular simulation of the effects of humidity and of interfacial Si- and B-hydroxyls on the adhesion energy between glass plates

作者：Elizabeth S. Savoy^a ; ^b ; ^{savoyes@corning.com" class="auth_mail" title="E-mail the corresponding author} ; Fernando A. Escobedo^b ; ^{fe13@cornell.com" class="auth_mail" title="E-mail the corresponding author}

关键词：Molecular dynamics ; Adhesion energy ; Water ; Silica ; Boron ; Hydroxylation

刊名：Journal of Colloid and Interface Science

出版年：2016

9.Tyrosinase based biosensor for the electrochemical determination of sulfamethoxazole

作者：Lorena del Torno-de Romá ; nAuthor Vitae ; M. Asunció ; n Alonso-Lomillo ; ^{malomillo@ubu.es" class="auth_mail" title="E-mail the corresponding author}Author Vitae ; Olga Domí ; nguez-RenedoAuthor Vitae ; M. Julia Arcos-Martí ; nezAuthor Vitae

关键词：Biosensor ; Screen-printed carbon electrodes ; Gold nanoparticles ; Tyrosinase ; Sulfamethoxazole

刊名：Sensors & Actuators: B. Chemical

出版年：2016

10.Monte Carlo simulations of H₂O-CaCl₂ and H₂O-CaCl₂-CO₂ mixtures

作者：Evaline S. Tsai ; Hao Jiang ; Athanassios Z. Panagiotopoulos ; ^{azp@princeton.edu" class="auth_mail" title="E-mail the corresponding author}

关键词：Monte Carlo simulation ; Vapor&ndash ; liquid equilibrium ; Gas solubility ; Aqueous electrolytes

刊名：Fluid Phase Equilibria

出版年：2016

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