Benchmark Data for Noncovalent Interactions in HCOOH···Benzene Complexes and Their Use for Validation of Density Functionals.
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Aromatic rings in chemical and biological recognition: energetics and structures.Comparative analysis of the performance of commonly available density functionals in the determination of geometrical parameters for copper complexes.Evaluating the enthalpic contribution to ligand binding using QM calculations: effect of methodology on geometries and interaction energies.An assessment of DFT methods for predicting the thermochemistry of ion-molecule reactions of group 14 elements (Si, Ge, Sn).Understanding the Anomalous Alkane Selectivity of ZIF-7 in the Separation of Light Alkane/Alkene Mixtures
P2860
Benchmark Data for Noncovalent Interactions in HCOOH···Benzene Complexes and Their Use for Validation of Density Functionals.
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2009 nî lūn-bûn
@nan
2009 թուականի Սեպտեմբերին հրատարակուած գիտական յօդուած
@hyw
2009 թվականի սեպտեմբերին հրատարակված գիտական հոդված
@hy
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
name
Benchmark Data for Noncovalent ...... dation of Density Functionals.
@ast
Benchmark Data for Noncovalent ...... dation of Density Functionals.
@en
type
label
Benchmark Data for Noncovalent ...... dation of Density Functionals.
@ast
Benchmark Data for Noncovalent ...... dation of Density Functionals.
@en
prefLabel
Benchmark Data for Noncovalent ...... dation of Density Functionals.
@ast
Benchmark Data for Noncovalent ...... dation of Density Functionals.
@en
P2093
P356
P1476
Benchmark Data for Noncovalent ...... dation of Density Functionals.
@en
P2093
P304
P356
10.1021/CT900333C
P577
2009-09-16T00:00:00Z