A Joint Venture of Ab Initio Molecular Dynamics, Coupled Cluster Electronic Structure Methods, and Liquid-State Theory to Compute Accurate Isotropic Hyperfine …
The isotropic hyperfine coupling constant (HFCC, A iso) of a pH-sensitive spin probe in a
solution, HMI (2, 2, 3, 4, 5, 5-hexamethylimidazolidin-1-oxyl, C9H19N2O) in water, is …
solution, HMI (2, 2, 3, 4, 5, 5-hexamethylimidazolidin-1-oxyl, C9H19N2O) in water, is …
A Joint Venture of Ab Initio Molecular Dynamics, Coupled Cluster Electronic Structure Methods, and Liquid-State Theory to Compute Accurate Isotropic Hyperfine …
B Sharma, D Marx, VA Tran, F Neese… - Journal of Chemical …, 2021 - elibrary.ru
Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation)
under Germany's Excellence Strategy—EXC 2033—390677874—RESOLV and FOR 1979 …
under Germany's Excellence Strategy—EXC 2033—390677874—RESOLV and FOR 1979 …
A Joint Venture of Ab Initio Molecular Dynamics, Coupled Cluster Electronic Structure Methods, and Liquid-State Theory to Compute Accurate Isotropic Hyperfine …
B Sharma, VA Tran, T Pongratz, L Galazzo… - Journal of Chemical …, 2021 - europepmc.org
The isotropic hyperfine coupling constant (HFCC, A iso) of a pH-sensitive spin probe in a
solution, HMI (2, 2, 3, 4, 5, 5-hexamethylimidazolidin-1-oxyl, C 9 H 19 N 2 O) in water, is …
solution, HMI (2, 2, 3, 4, 5, 5-hexamethylimidazolidin-1-oxyl, C 9 H 19 N 2 O) in water, is …
A Joint Venture of Ab Initio Molecular Dynamics, Coupled Cluster Electronic Structure Methods, and Liquid-State Theory to Compute Accurate Isotropic Hyperfine …
B Sharma, VA Tran, T Pongratz, L Galazzo… - Journal of Chemical …, 2021 - pure.mpg.de
The isotropic hyperfine coupling constant (HFCC, A iso) of a pH-sensitive spin probe in a
solution, HMI (2, 2, 3, 4, 5, 5-hexamethylimidazolidin-1-oxyl, C 9 H 19 N 2 O) in water, is …
solution, HMI (2, 2, 3, 4, 5, 5-hexamethylimidazolidin-1-oxyl, C 9 H 19 N 2 O) in water, is …
[PDF][PDF] _ _I·@©
B Sharma, TP Van Anh Tran… - J. Chem …, 2021 - access.archive-ouverte.unige.ch
The isotropic hyperfine coupling constant (HFCC, Aiso) of a pH-sensitive spin probe in a
solution, HMI (2, 2, 3, 4, 5, 5-hexamethylimidazolidin-1-oxyl, C9H19N2O) in water, is …
solution, HMI (2, 2, 3, 4, 5, 5-hexamethylimidazolidin-1-oxyl, C9H19N2O) in water, is …
A Joint Venture of Ab Initio Molecular Dynamics, Coupled Cluster Electronic Structure Methods, and Liquid-State Theory to Compute Accurate Isotropic Hyperfine …
B Sharma, T Pongratz, L Galazzo… - … of chemical theory …, 2021 - pubmed.ncbi.nlm.nih.gov
The isotropic hyperfine coupling constant (HFCC, A iso) of a pH-sensitive spin probe in a
solution, HMI (2, 2, 3, 4, 5, 5-hexamethylimidazolidin-1-oxyl, C 9 H 19 N 2 O) in water, is …
solution, HMI (2, 2, 3, 4, 5, 5-hexamethylimidazolidin-1-oxyl, C 9 H 19 N 2 O) in water, is …
[HTML][HTML] A Joint Venture of Ab Initio Molecular Dynamics, Coupled Cluster Electronic Structure Methods, and Liquid-State Theory to Compute Accurate Isotropic …
B Sharma, T Pongratz, L Galazzo, I Zhurko… - Journal of Chemical …, 2021 - ncbi.nlm.nih.gov
The isotropic hyperfine coupling constant (HFCC, Aiso) of a pH-sensitive spin probe in a
solution, HMI (2, 2, 3, 4, 5, 5-hexamethylimidazolidin-1-oxyl, C9H19N2O) in water, is …
solution, HMI (2, 2, 3, 4, 5, 5-hexamethylimidazolidin-1-oxyl, C9H19N2O) in water, is …
[PDF][PDF] A Joint Venture of Ab Initio Molecular Dynamics, Coupled Cluster Electronic Structure Methods, and Liquid State Theory to Compute Accurate Isotropic …
E Bordignon, SM Kast, F Neese, D Marxa - core.ac.uk
Table S1. Relative Gibbs energies Gsol (in kcal mol-1) and contributions (for EC-RISM: 1
sum of intramolecular energy Esol, excess chemical potential μex, partial molar volume …
sum of intramolecular energy Esol, excess chemical potential μex, partial molar volume …
A Joint Venture of Ab Initio Molecular Dynamics, Coupled Cluster Electronic Structure Methods, and Liquid-State Theory to Compute Accurate Isotropic Hyperfine …
B Sharma, VA Tran, T Pongratz, L Galazzo… - Journal of Chemical …, 2021 - europepmc.org
The isotropic hyperfine coupling constant (HFCC, Aiso) of a pH-sensitive spin probe in a
solution, HMI (2, 2, 3, 4, 5, 5-hexamethylimidazolidin-1-oxyl, C9H19N2O) in water, is …
solution, HMI (2, 2, 3, 4, 5, 5-hexamethylimidazolidin-1-oxyl, C9H19N2O) in water, is …
[PDF][PDF] A Joint Venture of Ab Initio Molecular Dynamics, Coupled Cluster Electronic Structure Methods, and Liquid State Theory to Compute Accurate Isotropic …
E Bordignon, SM Kast, F Neese, D Marxa - pure.mpg.de
Table S1. Relative Gibbs energies Gsol (in kcal mol-1) and contributions (for EC-RISM: 1
sum of intramolecular energy Esol, excess chemical potential μex, partial molar volume …
sum of intramolecular energy Esol, excess chemical potential μex, partial molar volume …