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1 Ergebnisse
1
Accurate Quantum Chemical Prediction of Gas-Phase Anion Bin..:
Isolde Sandler (8909714)
;
Shaleen Sharma (10120118)
;
Bun Chan (125395)
.
https://figshare.com/articles/dataset/Accurate_Quantum_Chemical_Prediction_of_Gas-Phase_Anion_Binding_Affinities_and_Their_Structure-Binding_Relationships/16943025. , 2021
Link:
https://doi.org/10.1021/acs.jpca.1c06648.s003
RT Journal T1
Accurate Quantum Chemical Prediction of Gas-Phase Anion Binding Affinities and Their Structure-Binding Relationships
UL https://suche.suub.uni-bremen.de/peid=base-ftsmithonian:oai:figshare.com:article_16943025&Exemplar=1&LAN=DE A1 Isolde Sandler (8909714) A1 Shaleen Sharma (10120118) A1 Bun Chan (125395) A1 Junming Ho (1342764) YR 2021 K1 Biophysics K1 Biochemistry K1 Cell Biology K1 Genetics K1 Pharmacology K1 Evolutionary Biology K1 Space Science K1 Biological Sciences not elsewhere classified K1 Chemical Sciences not elsewhere classified K1 Physical Sciences not elsewhere classified K1 thio ) ureas K1 thio ) squaramides K1 paper systematically examines K1 cpu time compared K1 best models resulted K1 basis set potentials K1 hybrid oniom models K1 functionals including dsd K1 d3 ( bj K1 correlation also depends K1 employed semiempirical methods K1 anion binding affinity K1 bonding anion receptors K1 hybrid dsd K1 direct correlation K1 ccsd ( K1 bonding geometry K1 binding relationships K1 methods examined K1 efficient methods K1 supramolecular chemistry K1 receptor needs K1 identify robust K1 geometrical distortion K1 fold reduction K1 contemporary wavefunction K1 commonly found K1 brønsted acidity JF https://figshare.com/articles/dataset/Accurate_Quantum_Chemical_Prediction_of_Gas-Phase_Anion_Binding_Affinities_and_Their_Structure-Binding_Relationships/16943025 LK http://dx.doi.org/https://doi.org/10.1021/acs.jpca.1c06648.s003 DO https://doi.org/10.1021/acs.jpca.1c06648.s003 SF ELIB - SuUB Bremen
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