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Application

Discovery Studio 0.07275132275132275 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.02889207258834766 Amorphous Cell 0.1227316141356256 Blends 0.0031041069723018147 CASTEP 0.600764087870105 CDOCKER 0.014087870105062083 CHARMm 0.0441738299904489 COMPASS 0.2096466093600764 COMPASS III 0.007640878701050621 COSMObase 2.387774594078319E-4 COSMOconf 2.387774594078319E-4 COSMOmic 0.0 COSMOtherm 0.0336676217765043 Catalyst 0.020534861509073542 Classical Simulations 0.5109837631327603 Conformers 0.0026265520534861507 Crystallization 0.04632282712511939 DFTB Plus 0.002387774594078319 DMol3 0.4138013371537727 DPD 0.0035816618911174787 Discover 0.026743075453677174 Forcite 0.21227316141356256 GULP 0.112225405921681 LUDI 0.002387774594078319 LibDock 0.004059216809933142 LigandFit 0.0054918815663801334 MODELER 0.03629417382999045 MesoDyn 0.0014326647564469914 Mesocite 0.0014326647564469914 Mesoscale 0.0062082139446036294 Morphology 0.013849092645654251 ONETEP 0.0064469914040114614 Polymorph 0.0057306590257879654 QMERA 2.387774594078319E-4 QSAR 0.0031041069723018147 Quantum Mechanics 1.0 Reflex 0.028175740210124166 Reflex Plus 9.551098376313276E-4 Semi-empirical 0.007640878701050621 Sorption 0.024116523400191024 Synthia 7.163323782234957E-4 TURBOMOLE 7.163323782234957E-4 VAMP 0.004536771728748806 Visualization 0.09240687679083094 X-Cell 7.163323782234957E-4 ZDOCK 0.0033428844317096467

Year

2003 0.0 2004 0.07292539815590947 2005 0.09304274937133278 2006 0.14752724224643754 2007 0.1994970662196144 2008 0.2564962279966471 2009 0.2799664710813076 2010 0.26655490360435874 2011 0.2162615255658005 2012 0.2196144174350377 2013 0.28834870075440067 2014 0.3109807208717519 2015 0.14417435037720033 2016 0.09136630343671416 2017 0.026823134953897737 2018 0.15423302598491198 2019 0.08717518860016764 2020 0.3369656328583403 2021 0.28499580888516346 2022 1.0 2023 0.30427493713327747 2024 0.12657166806370496 2025 0.06370494551550712 2026 0.01760268231349539

Keywords

energy 1.0 target 0.9243819680077557 between 0.25157537566650506 experimental 0.1670706091452577 surface 0.11358862497980288 potential 0.07044756826627888 well 0.06850864436904185 analysis 0.06527710454031346 interaction 0.06366133462594926 chemical 0.06188398772014865 band 0.0589756018742931 adsorption 0.045241557602197446 higher 0.04491840361932461 stable 0.04168686379059622 stability 0.03183066731297463 applied 0.03166909032153821 formation 0.0182582000323154 cell 0.016319276135078366 temperature 0.015511391177896268 crystal 0.013895621263532073 mechanism 0.009371465503312328 increase 0.003231539828728389 hydrogen 0.00290838584585555 lower 0.002746808854419131 performance 0.0
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