Performance of meta-GGA Functionals on General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions.

Performance of meta-GGA Functionals on General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions.

Item
http://www.wikidata.org/entity/Q40295929
Assessment and acceleration of binding energy calculations for protein-ligand complexes by the fragment molecular orbital method.Physical adsorption: theory of van der Waals interactions between particles and clean surfaces.Performance of a nonempirical density functional on molecules and hydrogen-bonded complexes.The Birmingham parallel genetic algorithm and its application to the direct DFT global optimisation of Ir(N) (N = 10-20) clusters.Functional derivatives of meta-generalized gradient approximation (meta-GGA) type exchange-correlation density functionals.Hydrogen evolution in [NiFe] hydrogenases and related biomimetic systems: similarities and differences.Density functionals that recognize covalent, metallic, and weak bonds.Semilocal and hybrid meta-generalized gradient approximations based on the understanding of the kinetic-energy-density dependence
P2860

Performance of meta-GGA Functionals on General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions.

Item
http://www.wikidata.org/entity/Q40295929
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
2012年论文
@zh
2012年论文
@zh-cn
name
Performance of meta-GGA Functi ...... and Noncovalent Interactions.
@en
type
label
Performance of meta-GGA Functi ...... and Noncovalent Interactions.
@en
prefLabel
Performance of meta-GGA Functi ...... and Noncovalent Interactions.
@en
P1433
P1476
P2093
P304
P31
P356
P433
P478
P50
P577
P5875
P698
P356
P1433
P1476
Performance of meta-GGA Functi ...... and Noncovalent Interactions.
@en
P2093
P304
P31
P356
P433
P478
P50
P577
P5875
P698