The thermochemistry of london dispersion-driven transition metal reactions: getting the 'right answer for the right reason'.
about
DLPNO-CCSD(T) scaled methods for the accurate treatment of large supramolecular complexes.A computationally efficient double hybrid density functional based on the random phase approximation.Comprehensive theoretical study of all 1812 C60 isomers.Assessment of density functionals for computing thermodynamic properties of lanthanide complexes.Facing the challenge of predicting the standard formation enthalpies of n-butyl-phosphate species with ab initio methods.Applications of isothermal titration calorimetry - the research and technical developments from 2011 to 2015.Trapping the δ Isomer of the Polyoxometalate-Based Keggin Cluster with a Tripodal Ligand.Understanding the Role of Dispersion in Frustrated Lewis Pairs and Classical Lewis Adducts: A Domain-Based Local Pair Natural Orbital Coupled Cluster Study.Extension of the D3 dispersion coefficient model.Theoretical study on selectivity trends in (N-heterocyclic carbene)-Pd catalyzed mizoroki-heck reactions: Exploring density functionals methods and molecular models.Why metal–oxos react with dihydroanthracene and cyclohexadiene at comparable rates, despite having different C–H bond strengths. A computational study
P2860
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P2860
The thermochemistry of london dispersion-driven transition metal reactions: getting the 'right answer for the right reason'.
description
2014 nî lūn-bûn
@nan
2014年の論文
@ja
2014年論文
@yue
2014年論文
@zh-hant
2014年論文
@zh-hk
2014年論文
@zh-mo
2014年論文
@zh-tw
2014年论文
@wuu
2014年论文
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2014年论文
@zh-cn
name
The thermochemistry of london ...... answer for the right reason'.
@en
The thermochemistry of london ...... answer for the right reason'.
@nl
type
label
The thermochemistry of london ...... answer for the right reason'.
@en
The thermochemistry of london ...... answer for the right reason'.
@nl
prefLabel
The thermochemistry of london ...... answer for the right reason'.
@en
The thermochemistry of london ...... answer for the right reason'.
@nl
P2093
P2860
P50
P356
P1433
P1476
The thermochemistry of london ...... t answer for the right reason'
@en
P2093
Andreas Hansen
Jean-Pierre Djukic
Stefan Grimme
P2860
P304
P356
10.1002/OPEN.201402017
P577
2014-09-04T00:00:00Z