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Application

Discovery Studio 0.06820016142050041 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.027842227378190254 Amorphous Cell 0.11794276875483373 Blends 0.002900232018561485 CASTEP 0.605568445475638 CDOCKER 0.013727764887857695 CHARMm 0.04156999226604795 COMPASS 0.20591647331786542 COMPASS III 0.005993812838360402 COSMObase 1.9334880123743234E-4 COSMOconf 5.80046403712297E-4 COSMOmic 0.0 COSMOtherm 0.03248259860788863 Catalyst 0.018754833720030936 Classical Simulations 0.49922660479505027 Conformers 0.002900232018561485 Crystallization 0.048337200309358085 DFTB Plus 0.0017401392111368909 DMol3 0.40873936581593195 DPD 0.0030935808197989174 Discover 0.02648878576952823 Forcite 0.20378963650425366 GULP 0.10730858468677494 LUDI 0.0017401392111368909 LibDock 0.004060324825986079 LigandFit 0.005027068832173241 MODELER 0.03441608662026296 MesoDyn 0.0015467904098994587 Mesocite 0.0013534416086620263 Mesoscale 0.005993812838360402 Morphology 0.014694508894044857 ONETEP 0.007927300850734726 Polymorph 0.006767208043310132 QMERA 1.9334880123743234E-4 QSAR 0.0027068832173240526 Quantum Mechanics 1.0 Reflex 0.027648878576952824 Reflex Plus 0.0017401392111368909 Semi-empirical 0.007153905645784996 Sorption 0.02262180974477958 Synthia 5.80046403712297E-4 TURBOMOLE 5.80046403712297E-4 VAMP 0.004447022428460944 Visualization 0.08720030935808198 X-Cell 0.0013534416086620263 ZDOCK 0.0032869296210363496

Year

2003 0.0 2004 0.055414012738853505 2005 0.07070063694267516 2006 0.11210191082802548 2007 0.15159235668789808 2008 0.19490445859872613 2009 0.21273885350318472 2010 0.26369426751592356 2011 0.2859872611464968 2012 0.3471337579617834 2013 0.4191082802547771 2014 0.27452229299363057 2015 0.10955414012738854 2016 0.08343949044585987 2017 0.04267515923566879 2018 0.13885350318471337 2019 0.06878980891719745 2020 0.25605095541401274 2021 0.2178343949044586 2022 1.0 2023 0.30636942675159234 2024 0.09617834394904459 2025 0.048407643312101914 2026 0.01337579617834395

Keywords

energy 1.0 target 0.9298268798731334 between 0.25320470463856215 experimental 0.16651248843663274 surface 0.11232985331042686 potential 0.07321263380467821 well 0.0729483282674772 analysis 0.0666049953746531 chemical 0.06515131492004758 band 0.06462270384564557 interaction 0.060790273556231005 stable 0.04638562177877627 adsorption 0.04585701070437426 higher 0.04453548301836924 stability 0.033038192150125545 applied 0.030791595083917007 formation 0.019294304215673318 temperature 0.017840623761067795 cell 0.015329721157658254 crystal 0.014404651777454737 mechanism 0.008193471653231135 increase 0.003568124752213559 hydrogen 0.0027752081406105457 optical 0.001453680454605524 lower 0.0
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