Accuracy of DLPNO-CCSD(T) method for noncovalent bond dissociation enthalpies from coinage metal cation complexes.
about
A combined experimental and theoretical spectroscopic protocol for determination of the structure of heterogeneous catalysts: developing the information content of the resonance Raman spectra of M1 MoVO xStepwise deprotonation of sumanene: electronic structures, energetics and aromaticity alterations.Accurate experimental and theoretical enthalpies of association of TiCl4 with typical Lewis bases used in heterogeneous Ziegler-Natta catalysis.Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation.Quantitative DFT modeling of product concentration in organometallic reactions: Cu-mediated pentafluoroethylation of benzoic acid chlorides as a case study.Communication: Quasi-robust local density fitting.Hoveyda-Grubbs catalyst analogues bearing the derivatives of N-phenylpyrrol in the carbene ligand - structure, stability, activity and unique ruthenium-phenyl interactions.Stability of functionalized corannulene cations [R-C20 H10 ](+) : An influence of the nature of R-Group.
P2860
Q42278638-A602AAEC-BBB1-456C-BBD2-43AE9661F10CQ46327388-2453175A-6654-4003-8541-2BDA473E40CEQ47623856-862A43D0-569F-4FA5-9745-AC9A5808E22DQ48044232-813949EE-6A09-45D6-9EA9-33D33B2043CAQ48050591-2A3C3E13-90BA-4196-8CB0-5CD2582640ACQ48299597-015DB71D-1FAC-4A8B-961C-1515C95D51BEQ52538347-9AA7CD1E-16BA-4276-8B98-67F88ACE4254Q53060261-C0EA0DE4-9F47-457D-993F-E46FF763344C
P2860
Accuracy of DLPNO-CCSD(T) method for noncovalent bond dissociation enthalpies from coinage metal cation complexes.
description
2015 nî lūn-bûn
@nan
2015年の論文
@ja
2015年論文
@yue
2015年論文
@zh-hant
2015年論文
@zh-hk
2015年論文
@zh-mo
2015年論文
@zh-tw
2015年论文
@wuu
2015年论文
@zh
2015年论文
@zh-cn
name
Accuracy of DLPNO-CCSD(T) meth ...... oinage metal cation complexes.
@en
type
label
Accuracy of DLPNO-CCSD(T) meth ...... oinage metal cation complexes.
@en
prefLabel
Accuracy of DLPNO-CCSD(T) meth ...... oinage metal cation complexes.
@en
P356
P1476
Accuracy of DLPNO-CCSD(T) meth ...... oinage metal cation complexes.
@en
P2093
Edrisse Chermak
P304
P356
10.1021/ACS.JCTC.5B00584
P577
2015-09-04T00:00:00Z