Ab initio group contribution method for activation energies of hydrogen abstraction reactions.

Ab initio group contribution method for activation energies of hydrogen abstraction reactions.

Item
http://www.wikidata.org/entity/Q49098172
Transition state geometry prediction using molecular group contributions.Global investigation of potential energy surfaces for the pyrolysis of C(1)-C(3) hydrocarbons: toward the development of detailed kinetic models from first principles.Kinetics of α hydrogen abstractions from thiols, sulfides and thiocarbonyl compounds.Kinetic modeling of α-hydrogen abstractions from unsaturated and saturated oxygenate compounds by carbon-centered radicals.Kinetics of homolytic substitutions by hydrogen atoms at thiols and sulfides.Modeling the influence of resonance stabilization on the kinetics of hydrogen abstractions.Spectroscopic characterization of the ethyl radical-water complex.A computational study of the competing reaction mechanisms of the photo-catalytic reduction of CO2 on anatase(101).Kinetic modeling of hydrogen abstractions involving sulfur radicals.
P2860

Ab initio group contribution method for activation energies of hydrogen abstraction reactions.

Item
http://www.wikidata.org/entity/Q49098172
description
2006 nî lūn-bûn
@nan
2006年の論文
@ja
2006年学术文章
@wuu
2006年学术文章
@zh-cn
2006年学术文章
@zh-hans
2006年学术文章
@zh-my
2006年学术文章
@zh-sg
2006年學術文章
@yue
2006年學術文章
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2006年學術文章
@zh-hant
name
Ab initio group contribution m ...... ydrogen abstraction reactions.
@en
Ab initio group contribution m ...... ydrogen abstraction reactions.
@nl
type
label
Ab initio group contribution m ...... ydrogen abstraction reactions.
@en
Ab initio group contribution m ...... ydrogen abstraction reactions.
@nl
prefLabel
Ab initio group contribution m ...... ydrogen abstraction reactions.
@en
Ab initio group contribution m ...... ydrogen abstraction reactions.
@nl
P1433
P1476
P2093
P304
P31
P356
P433
P478
P50
P577
P698
P356
P1433
P1476
Ab initio group contribution m ...... ydrogen abstraction reactions.
@en
P2093
P304
P31
P356
P433
P478
P50
P577
P698