A reinvestigation of the dimer of para-benzoquinone and pyrimidine with MP2, CCSD(T), and DFT using functionals including those designed to describe dispersion.
about
Comparison of some dispersion-corrected and traditional functionals as applied to peptides and conformations of cyclohexane derivatives.Comparison of some dispersion-corrected and traditional functionals with CCSD(T) and MP2 ab initio methods: dispersion, induction, and basis set superposition errorThe interactions of phenylalanines in β-sheet-like structures from molecular orbital calculations using density functional theory (DFT), MP2, and CCSD(T) methodsCapping parallel β-sheets of acetyl(Ala)6NH2 with an acetyl(Ala)5ProNH2 can arrest the growth of the sheet, suggesting a potential for curtailing amyloid growth. An ONIOM and density functional theory study.Density functional theory study of the interaction of vinyl radical, ethyne, and ethene with benzene, aimed to define an affordable computational level to investigate stability trends in large van der Waals complexes.
P2860
A reinvestigation of the dimer of para-benzoquinone and pyrimidine with MP2, CCSD(T), and DFT using functionals including those designed to describe dispersion.
description
2012 nî lūn-bûn
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2012年の論文
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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
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2012年论文
@zh-cn
name
A reinvestigation of the dimer ...... signed to describe dispersion.
@ast
A reinvestigation of the dimer ...... signed to describe dispersion.
@en
type
label
A reinvestigation of the dimer ...... signed to describe dispersion.
@ast
A reinvestigation of the dimer ...... signed to describe dispersion.
@en
prefLabel
A reinvestigation of the dimer ...... signed to describe dispersion.
@ast
A reinvestigation of the dimer ...... signed to describe dispersion.
@en
P2093
P2860
P356
P1476
A reinvestigation of the dimer ...... signed to describe dispersion.
@en
P2093
Antoni Oliva
J J Dannenberg
Mateusz Marianski
P2860
P304
P356
10.1021/JP3050274
P407
P577
2012-07-19T00:00:00Z