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Accurate Quantum Chemical Prediction of Gas-Phase Anion Bin..:

Isolde Sandler (8909714) ; Shaleen Sharma (10120118) ; Bun Chan (125395).
https://figshare.com/articles/journal_contribution/Accurate_Quantum_Chemical_Prediction_of_Gas-Phase_Anion_Binding_Affinities_and_Their_Structure-Binding_Relationships/16943019. , 2021

Link: https://doi.org/10.1021/acs.jpca.1c06648.s001

RT Journal
T1 <Title>Accurate Quantum Chemical Prediction of Gas-Phase Anion Binding Affinities and Their Structure-Binding Relationships</Title>

UL https://suche.suub.uni-bremen.de/peid=base-ftsmithonian:oai:figshare.com:article_16943019&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/journal_contribution/Accurate_Quantum_Chemical_Prediction_of_Gas-Phase_Anion_Binding_Affinities_and_Their_Structure-Binding_Relationships/16943019
LK http://dx.doi.org/https://doi.org/10.1021/acs.jpca.1c06648.s001
DO https://doi.org/10.1021/acs.jpca.1c06648.s001
SF ELIB - SuUB Bremen

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