Full rate constant matrix contraction method for obtaining branching ratio of unimolecular decomposition.

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An automated method to find reaction mechanisms and solve the kinetics in organometallic catalysis.Exploring the full catalytic cycle of rhodium(i)-BINAP-catalysed isomerisation of allylic amines: a graph theory approach for path optimisation.

P2860

Q41664540-135501CC-0C2A-45B2-9F21-4EBE5C06DAEC Q41816835-A44B64C2-3923-4847-B31D-31EDD4A9E089

P2860

Full rate constant matrix contraction method for obtaining branching ratio of unimolecular decomposition.

Item

http://www.wikidata.org/entity/Q50557213

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2016 nî lūn-bûn

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2016年の論文

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年学术文章

@zh-hans

2016年学术文章

@zh-my

2016年学术文章

@zh-sg

2016年學術文章

@yue

2016年學術文章

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name

Full rate constant matrix cont ...... of unimolecular decomposition.

@en

Full rate constant matrix cont ...... of unimolecular decomposition.

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type

Item

label

Full rate constant matrix cont ...... of unimolecular decomposition.

@en

Full rate constant matrix cont ...... of unimolecular decomposition.

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prefLabel

Full rate constant matrix cont ...... of unimolecular decomposition.

@en

Full rate constant matrix cont ...... of unimolecular decomposition.

@nl

P1476

Full rate constant matrix cont ...... of unimolecular decomposition.

@en

P2093

Tetsuya Taketsugu

http://www.w3.org/2001/XMLSchema#string

Yosuke Sumiya

http://www.w3.org/2001/XMLSchema#string

P2860

MassKinetics: a theoretical model of mass spectra incorporating physical processes, reaction kinetics and mathematical descriptions.

Modeling the kinetics of bimolecular reactions.

Chemistry of energetically activated cumulenes - from allene (H2CCCH2) to hexapentaene (H2CCCCCCH2).

Ab initio study of hydrogen migration across n-alkyl radicals.

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.

Towards first principles calculation of electron impact mass spectra of molecules.

Application of ab initio molecular dynamics for a priori elucidation of the mechanism in unimolecular decomposition: the case of 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one (NTO).

An ab initio/RRKM study of product branching ratios in the photodissociation of buta-1,2- and -1,3-dienes and but-2-yne at 193 nm.

Ab initio molecular dynamics study on the initial chemical events in nitramines: thermal decomposition of CL-20.

Theoretical study of the C6H3 potential energy surface and rate constants and product branching ratios of the C2H(2Sigma+) + C4H2(1Sigma(g)+) and C4H(2Sigma+) + C2H2(1Sigma(g)+) reactions.

P304

101-109

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P31

scholarly article

P356

10.1002/JCC.24526

http://www.w3.org/2001/XMLSchema#string

P433

http://www.w3.org/2001/XMLSchema#string

P478

http://www.w3.org/2001/XMLSchema#string

P50

Satoshi Maeda

P577

2016-10-31T00:00:00Z

http://www.w3.org/2001/XMLSchema#dateTime

P698

27796079

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Full rate constant matrix contraction method for obtaining branching ratio of unimolecular decomposition.

about

P2860

P2860

Full rate constant matrix contraction method for obtaining branching ratio of unimolecular decomposition.

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P50

P577

P698

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P50

P577

P698