The Changing Labour Market of the Information Professional:
- 期刊名称Librarian Career Development
- 作者Ole Pors, Niels
- 卷第2卷
- 期第3期
- 印刷ISSN0968-0810
- 文件大小55.71KB
- 发表时间1994-09
- DOI10.1108/09680819410066930
- 页码14-21
First principles molecular dynamics simulation of liquid rubidiumBenedito José Costa Cabral; José Luís Martins · 1995
First principles centroid molecular dynamics simulation of high pressure icesIkeda, Takashi · The Journal of Chemical Physics · 2018
First principles and classical molecular dynamics simulations of solvated benzeneAllesch, Markus; Lightstone, Felice C.; Schwegler, Eric; Galli, Giulia · The Journal of Chemical Physics · 2008
Acidity constants of lumiflavin from first principles molecular dynamics simulationsKılıç, Murat; Ensing, Bernd · Phys. Chem. Chem. Phys. · 2014
A first principles molecular dynamics simulation of the hydrated magnesium ionFelice C. Lightstone; Eric Schwegler; Randolph Q. Hood; François Gygi; Giulia Galli · 2001
Understanding surface acidity of gibbsite with first principles molecular dynamics simulationsLiu, Xiandong; Cheng, Jun; Sprik, Michiel; Lu, Xiancai; Wang, Rucheng · Geochimica et Cosmochimica Acta · 2013
First principles isothermal-isobaric centroid molecular dynamics simulation of high pressure icesIkeda, Takashi · Chemical Physics Letters · 2019
First Principles Molecular Dynamics Simulations of UCln–NaCl (n=3, 4) Molten SaltsLi, Bo; Dai, Sheng; Jiang, De-en · ACS Applied Energy Materials · 2019
Facet selectivity in gold binding peptides: exploiting interfacial water structureWright, Louise B.; Palafox-Hernandez, J. Pablo; Rodger, P. Mark; Corni, Stefano; Walsh, Tiffany R. · Chem. Sci. · 2015
Structure and Properties of Citrate Overlayers Adsorbed at the Aqueous Au(111) InterfaceWright, Louise B.; Rodger, P. Mark; Walsh, Tiffany R. · Langmuir · 2014
Benzene adsorption at the aqueous (0 1 1) α-quartz interface: is surface flexibility important?Wright, Louise B.; Freeman, Colin L.; Walsh, Tiffany R. · Molecular Simulation · 2013
Aqueous citrate: a first-principles and force-field molecular dynamics studyWright, Louise B.; Rodger, P. Mark; Walsh, Tiffany R. · RSC Advances · 2013
Structure of Arginine Overlayers at the Aqueous Gold Interface: Implications for Nanoparticle AssemblyWright, Louise B.; Merrill, Nicholas A.; Knecht, Marc R.; Walsh, Tiffany R. · ACS Applied Materials & Interfaces · 2014
Efficient conformational sampling of peptides adsorbed onto inorganic surfaces: insights from a quartz binding peptideWright, Louise B.; Walsh, Tiffany R. · Physical Chemistry Chemical Physics · 2013
Facet Selectivity of Binding on Quartz Surfaces: Free Energy Calculations of Amino-Acid Analogue AdsorptionWright, Louise B.; Walsh, Tiffany R. · The Journal of Physical Chemistry C · 2012
Exploring the influence of organic species on pre- and post-nucleation calcium carbonateRaiteri, Paolo; Demichelis, Raffaella; Gale, Julian D.; Kellermeier, Matthias; Gebauer, Denis; Quigley, David; Wright, Louise B.; Walsh, Tiffany R. · Faraday Discussions · 2012
Steered transition path samplingGuttenberg, Nicholas; Dinner, Aaron R.; Weare, Jonathan · The Journal of Chemical Physics · 2012
Mixing normal and anomalous diffusionGeyer, Tihamér · The Journal of Chemical Physics · 2012
Perspective: Supercooled liquids and glassesEdiger, M. D.; Harrowell, Peter · The Journal of Chemical Physics · 2012
Microwave Absorption in Compressed CO2Ho, W. · The Journal of Chemical Physics · 1966
Perspective: Nonadiabatic dynamics theoryTully, John C. · The Journal of Chemical Physics · 2012
Thermodynamics of Crystals and MeltingBorn, Max · The Journal of Chemical Physics · 1939
Magnetic Equivalence of Nuclear SpinsMusher, J. I. · The Journal of Chemical Physics · 1967
Equation of State for Hard SpheresThiele, Everett · The Journal of Chemical Physics · 1963