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SpringerLink电子期刊(9)	GSW全文库(1)	ACS电子期刊(16)
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在“Elsevier电子期刊”中，命中：24条，耗时：0.0949495 秒

在所有数据库中总计命中：51条

1.Molecular simulations of polyamide membrane materials used in desalination and water reuse applications: Recent developments and future prospects

作者：Harry F. Ridgway^a ; ^b ; ^{ridgway@vtc.net} ; John Orbell^a ; Stephen Gray^a

关键词：Å ; Angstrom ; AFM ; atomic force microscopy ; AMBER ; Assisted Model Building and Energy Refinement R. Salomon-Ferrer ; D.A. Case ; R.C. Walker ; An overview of the Amber biomolecular simulation package ; WIREs Comput. Mol. Sci. 3 (2012) 198&ndash ; 210 ; BSA ; Bovine serum albumin ; CA ; cellulose acetate ; CHARMM ; Chemistry at Harvard Molecular Mechanics ; MD code originally developed by Martin Karplus ; Harvard University ; CN ; cellulose nitrate ; CNT ; carbon nanotube ; CVFF ; Consistent Valence Force Field

刊名：Journal of Membrane Science

出版年：2017

2.Structural analyses of the permease like protein SoxT: A member of the sulfur compound metabolizing sox operon

作者：Angshuman Bagchi ; ^{angshuman_bagchi@yahoo.com}

关键词：PDB ; Protein Data Bank ; BLAST ; Basic Local Alignment Search Tool ; CVFF ; Consistent Valence Force Field ; r.m.s.d ; Root Mean Squared Deviation

刊名：Gene

出版年：2013

3.Polarizable force field for water–dimethyl sulfoxide systems: I Parameterization and gas phase test

作者：Qiang Zhang ; Xia Zhang ; Long Yu ; Dong-Xia Zhao

关键词：Polarizable force field ; Dimethyl sulfoxide (DMSO) ; Hydrogen bond

刊名：Journal of Molecular Liquids

出版年：2009

4.Dissociation mechanism of carbon dioxide hydrate by molecular dynamic simulation and ab initio calculation

作者：Yuan Liu^a ; Jijun Zhao^a ; ^{zhaojj@dlut.edu.cn} ; Jingcheng Xu^b

关键词：CO2 hydrate ; Dissociation mechanism ; Diffusion barrier

刊名：Computational and Theoretical Chemistry

出版年：2012

5.Heat transport in epoxy networks: A molecular dynamics study

作者：Vikas Varshney ; Soumya S. Patnaik ; Ajit K. Roy ; Barry L. Farmer

关键词：Molecular dynamics ; Thermal conductivity ; Epoxy network

刊名：Polymer

出版年：2009

6.Studies on aliphatic polyesters. Part III. Ab initio, density functional and force field studies of esters with tartaric units

作者：Korpelainen ; V. ; Mannfors ; B. ; Pietilä ; L.-O.

关键词：Conformation ; Ab initio ; Density functional theory ; Force field ; Tartaric unit

刊名：Journal of Molecular Structure: THEOCHEM

出版年：2003

7.Studies on aliphatic polyesters. Part III. Ab initio, density functional and force field studies of esters with tartaric units

作者：Korpelainen ; V. ; Mannfors ; B. ; Pietilä ; L.-O.

关键词：Conformation ; Ab initio ; Density functional theory ; Force field ; Tartaric unit

刊名：Journal of Molecular Structure: THEOCHEM

出版年：2003

8.Probing molecular interactions in bone biomaterials: Through molecular dynamics and Fourier transform infrared spectroscopy

作者：Rahul Bhowmik ; Kalpana S. Katti ; Devendra Verma ; Dinesh R. Katti

关键词：Molecular dynamics ; Biomaterial ; FTIR ; Chelation ; Nanocomposite

刊名：Materials Science and Engineering: C

出版年：2007

9.Molecular dynamics — potential of mean force calculations as a tool for understanding ion permeation and selectivity in narrow channels

作者：Toby W. Allen ; Olaf S. Andersen ; Benoit Roux

关键词：Ion channel ; Ion permeation ; Ion selectivity ; Potential of mean force ; Free energy ; Molecular dynamics ; Gramicidin

刊名：Biophysical Chemistry

出版年：2006

10.Raman, infrared and force field studies of K₂¹²C₂O₄ · H₂O and K₂¹³C₂O₄ · H₂O

作者：Clark ; Robin J.H. ; Firth ; Steven

关键词：Oxalates ; Raman spectroscopy ; Force field calculations

刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

出版年：2002

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