Benchmarking Density Functionals on Structural Parameters of Small-/Medium-Sized Organic Molecules 论文

2016Journal of Chemical Theory and Computation引用 224
DOI
Chemical Thermodynamics and Molecular StructureComputational Drug Discovery MethodsAdvanced Chemical Physics Studies
Computational Drug Discovery MethodsChemical Thermodynamics and Molecular StructureAdvanced Chemical Physics Studies
相关技术:Computational Drug Discovery Methods
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Benchmarking Density Functionals on Structural Parameters of Small-/Medium-Sized Organic Molecules · 作者

C

Carlo Adamo

J

J. C. Sancho-Garcı́a

X

Xin Xu

Á

Á. J. Pérez‐Jiménez

N

Neil Qiang Su

M

Marika Savarese

É

Éric Brémond