搜索页_+Semi-empirical+potential

常用资源

电子图书

期刊论文

学位会议

在“Elsevier电子期刊”中，命中：788条，耗时：0.1039517 秒

在所有数据库中总计命中：4,747条

1.Development of an empirical interatomic potential for the Ag-Ti system

作者：Ying Zhou^a ; ^{y.zhou3@lboro.ac.uk} ; Roger Smith^a ; Steven D. Kenny^b ; Adam L. Lloyd^a

关键词：Titanium ; Silver ; Semi-empirical potential ; Density-functional calculations

刊名：Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

出版年：2017

2.A ReaXFF carbon potential for radiation damage studies

作者：Roger Smith^a ; ^{r.smith@lboro.ac.uk} ; Kenny Jolley^a ; Chris Latham^b ; Malcolm Heggie^c ; Adri van Duin^d ; Diana van Duin^d ; Houzheng Wu^e

关键词：Graphite ; Semi-empirical potential ; Density-functional calculations ; Defects ; Cascades

刊名：Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

出版年：2017

3.Open and ducted propeller virtual mass and damping coefficients by URANS-method in straight and oblique flow

作者：J. Martio^a ; A. Sá ; nchez-Caja^a ; ; T. Siikonen^b

关键词：URANS ; Added mass ; Propeller ; CFD ; Damping coefficients ; Vibration

刊名：Ocean Engineering

出版年：2017

4.Synthesis, characterisation, XRD, molecular modelling and potential antibacterial studies of Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and Hg(II) complexes with bidentate azodye ligand

作者：Bipin Bihari Mahapatra^a ; ^{mahapatra.bipin@yahoo.com" class="auth_mail" title="E-mail the corresponding author} ; Ramani Ranjan Mishra^a ; Ashish Kumar Sarangi^b ; ^{ashishsbp_2008@yahoo.com" class="auth_mail" title="E-mail the corresponding author}

关键词：Azodye complexes ; Antibacterial studies ; Molecular modelling

刊名：Journal of Saudi Chemical Society

出版年：2016

5.A semi-empirical equation for describing the surface tension of aqueous organic liquid mixtures

作者：M. Soledade C.S. Santos^a ; ^{mssantos@ciencias.ulisboa.pt" class="auth_mail" title="E-mail the corresponding author} ; Joã ; o Carlos R. Reis^b

关键词：Surface tension ; Surface pressure ; Surface molar area ; Chemical potential ; Thermodynamics ; Liquid mixtures ; Water ; Ethanol ; Propan-2-ol ; Ethanenitrile ; 1 ; 4-Dioxane

刊名：Fluid Phase Equilibria

出版年：2016

6.Characterizing the performance of a single-screw expander in a small-scale organic Rankine cycle for waste heat recovery

作者：D. Ziviani^a ; ^b ; ^{davide.ziviani@ugent.be" class="auth_mail" title="E-mail the corresponding author} ; S. Gusev^a ; S. Lecompte^a ; E.A. Groll^b ; J.E. Braun^b ; W.T. Horton^b ; M. van den Broek^a ; M. De Paepe^a

关键词：Organic Rankine cycle ; Experimental analysis ; SES36 ; R245fa ; Single-screw expander ; Semi-empirical model

刊名：Applied Energy

出版年：2016

7.Coupling uranium series and ¹⁰Be cosmogenic radionuclides to evaluate steady-state soil thickness in the Betic Cordillera

作者：Jé ; rô ; me Schoonejans^a ; ^{jerome.schoonejans@uclouvain.be" class="auth_mail" title="E-mail the corresponding author} ; Veerle Vanacker^a ; ^{veerle.vanacker@uclouvain.be" class="auth_mail" title="E-mail the corresponding author} ; Sophie Opfergelt^b ; ^{sophie.opfergelt@uclouvain.be" class="auth_mail" title="E-mail the corresponding author} ; Mathieu Granet^c ; ^{mgranet@unistra.fr" class="auth_mail" title="E-mail the corresponding author} ; Franç ; ois Chabaux^c ; ^{fchabaux@unistra.fr" class="auth_mail" title="E-mail the corresponding author}

关键词：U-series isotopes ; Soil production rate ; 10Be derived denudation rates ; Semi-arid environment ; Soil development ; Steady state soil thickness

刊名：Chemical Geology

出版年：2016

8.A qualitative study of smokers‿views on brain-based explanations of tobacco dependence

作者：Kylie Morphett^a ; ^b ; ^{k.morphett@uq.edu.au" class="auth_mail" title="E-mail the corresponding author} ; Adrian Carter^b ; ^c ; ^{adrian.carter@monash.edu" class="auth_mail" title="E-mail the corresponding author} ; Wayne Hall^b ; ^d ; ^{w.hall@uq.edu.au" class="auth_mail" title="E-mail the corresponding author} ; Coral Gartner^a ; ^b ; ^{c.gartner@uq.edu.au" class="auth_mail" title="E-mail the corresponding author}

关键词：Lay understandings ; Nicotine addiction ; Smoking ; Qualitative research ; Neuroethics

刊名：International Journal of Drug Policy

出版年：2016

9.A nonlinear model for estimating ground-level PM₁₀ concentration in Xi'an using MODIS aerosol optical depth retrieval

作者：Wei You^a ; Zengliang Zang^a ; ^{zzlqxxy@163.com" class="auth_mail" title="E-mail the corresponding author} ; Lifeng Zhang^a ; Mei Zhang^b ; Xiaobin Pan^a ; Yi Li^a

关键词：Aerosol optical depth ; PM10 ; MODIS ; Nonlinear model

刊名：Atmospheric Research

出版年：2016

10.Integrated Free Energy Model (IFEM) for microemulsions

作者：Amé ; rico Boza Troncoso ; Edgar Acosta ; ^{edgar.acosta@utoronto.ca" class="auth_mail" title="E-mail the corresponding author}

关键词：Microemulsions ; Surfactant ; Oil ; Water ; Molecular ; Interactions ; Configuration

刊名：Journal of Colloid and Interface Science

出版年：2016

按检索点细分(788)

题名(15)

关键词(35)

文摘(617)

按出版年细分(788)

2027年及以后(22)

2017年(3)

2016年(15)

2015年(7)

2014年(1)

2013年(48)

2012年(39)

2011年(45)

2010年(36)

2009年(28)

2008年(45)

2007年(46)

2006年(48)

2005年(36)

2004年(44)

2003年(40)

2002年(33)

2001年(46)

2000年(38)

2000年及以前(168)

地址：北京市海淀区学院路29号邮编：100083

电话：办公室：(+86 10)66554848；文献借阅、咨询服务、科技查新：66554700