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Elsevier电子期刊(82)

在“Elsevier电子期刊”中，命中：82条，耗时：0.1709471 秒

在所有数据库中总计命中：218条

1.Effects of temperature and isotopic substitution on electron attachment dynamics of guanine-cytosine base pair: Ring-polymer and classical molecular dynamics simulations

作者：Yusuke Minoshima^a ; Yusuke Seki^a ; Toshiyuki Takayanagi^a ; ^{tako@mail.saitama-u.ac.jp" class="auth_mail" title="E-mail the corresponding author} ; Motoyuki Shiga^b

关键词：Ring-polymer molecular dynamics ; Electron attachment ; Reaction dynamics ; Nuclear quantum effects ; Low-energy electron ; DNA damage

刊名：Chemical Physics

出版年：2016

2.Behavior investigation of phenolic hydroxyl groups during the pyrolysis of cured phenolic resin via molecular dynamics simulation

作者：Yuhu Zhong ; Xinli Jing ; Shujuan Wang ; Qin-Xiang Jia ; ^{qinxiangjia1984@mail.xjtu.edu.cn" class="auth_mail" title="E-mail the corresponding author} ; ^{rgfp-jing@mail.xjtu.edu.cn" class="auth_mail" title="E-mail the corresponding author}

关键词：Phenolic resin ; Pyrolysis ; Molecular simulation ; Phenolic hydroxyl group ; Phenoxyl radical ; Hydroxyl radical

刊名：Polymer Degradation and Stability

出版年：2016

3.Conformation study of ɛ-cyclodextrin: Replica exchange molecular dynamics simulations

作者：Wasinee Khuntawee^a ; ^{w.khutawee@gmail.com" class="auth_mail" title="E-mail the corresponding author} ; Thanyada Rungrotmongkol^b ; ^c ; ^{t.rungrotmongkol@gmail.com" class="auth_mail" title="E-mail the corresponding author} ; Peter Wolschann^d ; ^e ; ^{karl.peter.wolschann@univie.ac.at" class="auth_mail" title="E-mail the corresponding author} ; Piamsook Pongsawasdi^c ; ^{piamsook.p@chula.ac.th" class="auth_mail" title="E-mail the corresponding author} ; Nawee Kungwan^f ; ^{naweekung@gmail.com" class="auth_mail" title="E-mail the corresponding author} ; Hisashi Okumura^g ; ^h ; ^{hokumura@ims.ac.jp" class="auth_mail" title="E-mail the corresponding author} ; Supot Hannongbuaⁱ ; ^{supot.h@chula.ac.th" class="auth_mail" title="E-mail the corresponding author}

关键词：Large-ring cyclodextrin ; ɛ-Cyclodextrin ; Replica exchange molecular dynamics ; Conformational changes

刊名：Carbohydrate Polymers

出版年：2016

4.Mixtures of polymer architectures: Probing the structure and dynamics with neutron scattering

作者：W. Pyckhout-Hintzen ; ^{w.pyckhout@fz-juelich.de" class="auth_mail" title="E-mail the corresponding author} ; A. Wischnewski ; D. Richter

关键词：Small angle neutron scattering ; Neutron spin echo ; Polymer dynamics ; Ring polymer ; Tube diameter

刊名：Polymer

出版年：2016

5.Structure and dynamics of single-chain nano-particles in solution

作者：A. Arbe^a ; ^{a.arbe@ehu.eus" class="auth_mail" title="E-mail the corresponding author} ; J.A. Pomposo^a ; ^b ; ^c ; A.J. Moreno^a ; F. LoVerso^a ; M. Gonzá ; lez-Burgos^a ; I. Asenjo-Sanz^a ; A. Iturrospe^a ; A. Radulescu^d ; O. Ivanova^d ; J. Colmenero^a ; ^b ; ^e

关键词：Single-chain nano-particles ; Small angle scattering ; Quasielastic neutron scattering ; Molecular dynamics simulations

刊名：Polymer

出版年：2016

6.Resonant soft X-ray scattering for polymer materials

作者：Feng Liu^a ; ^bAuthor Vitae ; Michael A. Brady^a ; ^bAuthor Vitae ; Cheng Wang^a ; ^{cwang2@lbl.gov" class="auth_mail" title="E-mail the corresponding author}Author Vitae

关键词：RSoXS ; X-ray scattering ; Polymers ; Soft materials ; Polarized soft X-rays ; Soft X-ray spectroscopy

刊名：European Polymer Journal

出版年：2016

7.Tailoring the solution conformation of polycarboxylate superplasticizer toward the improvement of dispersing performance in cement paste

作者：Xin Shu^a ; ^b ; Qianping Ran^a ; ^b ; ^{qpran@cnjsjk.cn" class="auth_mail" title="E-mail the corresponding author} ; Jiaping Liu^c ; Hongxia Zhao^a ; ^b ; Qian Zhang^a ; ^b ; Xiumei Wang^a ; ^b ; Yong Yang^a ; ^b ; Jinzhi Liu^a ; ^b

关键词：Comb-like polymer ; Polycarboxylate ; Conformation ; Adsorption ; Backbone stiffness ; Cement paste ; Molecular dynamics simulation

刊名：Construction and Building Materials

出版年：2016

8.Dynamic, conformational and topological properties of ring-linear poly(ethylene oxide) blends from molecular dynamics simulations

作者：Dimitrios G. Tsalikis ; Thanasis Koukoulas ; Vlasis G. Mavrantzas ; ^{vlasis@chemeng.upatras.gr" class="auth_mail}

关键词：Poly(ethylene oxide) ; Ring ; Blend ; Molecular dynamics ; Simulation ; Topological analysis ; Diffusivity

刊名：Reactive and Functional Polymers

出版年：July 2014

9.RPMDrate: Bimolecular chemical reaction rates from ring polymer molecular dynamics

作者：Yu.V. Suleimanov^a ; ^b ; ^{ysuleyma@princeton.edu} ; J.W. Allen^a ; W.H. Green^a

关键词：Ring polymer molecular dynamics ; Chemical reaction rates ; Kinetics ; Reaction coordinate ; Quantum mechanical effects ; Tunneling ; Zero point energy

刊名：Computer Physics Communications

出版年：2013

10.Conformational sensitivity of conjugated poly(ethylene oxide)-poly(amidoamine) molecules to cations adducted upon electrospray ionization - A mass spectrometry, ion mobility and molecular modeling study

作者：Aura Tintaru ; Christophe Chendo ; Qi Wang ; St茅phane Viel ; Gilles Qu茅l茅ver ; Ling Peng ; Paola Posocco ; Sabrina Pricl ; Laurence Charles

关键词：Conformation ; Ion mobility ; Poly(amidoamine) dendrimer ; Poly(ethylene oxide) ; Tandem mass spectrometry ; Molecular modeling

刊名：Analytica Chimica Acta

出版年：15 January, 2014

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