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1 Ergebnisse
1
Constant Potential Thermodynamic Integration for Obtaining ..:
Hao Cao
;
Xinmao Lv
;
Shengjie Qian
..
doi:10.1021/acs.jpclett.3c03318.s001. , 1753
Link:
https://doi.org/10.1021/acs.jpclett.3c03318.s001
RT Journal T1
Constant Potential Thermodynamic Integration for Obtaining the Free Energy Profile of Electrochemical Reaction
UL https://suche.suub.uni-bremen.de/peid=base-ftgriffithunifig:oai:figshare.com:article_25104237&Exemplar=1&LAN=DE A1 Hao Cao A1 Xinmao Lv A1 Shengjie Qian A1 Jun Li A1 Yang-Gang Wang YR 1753 K1 Biophysics K1 Biochemistry K1 Biotechnology K1 Computational Biology K1 Space Science K1 Biological Sciences not elsewhere classified K1 Chemical Sciences not elsewhere classified K1 Physical Sciences not elsewhere classified K1 Information Systems not elsewhere classified K1 induced solvation effects K1 free energy profile K1 fly " procedure K1 robust potential descriptor K1 potential thermodynamic integration K1 cpti )" method K1 2 </ sub K1 electrochemical reaction process K1 electrochemical reaction K1 electrochemical environment K1 system pre K1 results show K1 necessary steps K1 force sampling K1 efficient computation K1 different states K1 atom catalyst K1 approach enables K1 also consider K1 accurate simulation JF doi:10.1021/acs.jpclett.3c03318.s001 LK http://dx.doi.org/https://doi.org/10.1021/acs.jpclett.3c03318.s001 DO https://doi.org/10.1021/acs.jpclett.3c03318.s001 SF ELIB - SuUB Bremen
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