Electronic structure and molecular dynamics of breaking the RO-NO2 bond.

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Molecular dynamics simulations of shock waves in oriented nitromethane single crystals: plane-specific effects.ReaxFF reactive molecular dynamics on silicon pentaerythritol tetranitrate crystal validates the mechanism for the colossal sensitivity.

P2860

Q38425420-DAB3ADF7-74CC-476A-A745-BA700A917D5E Q46938403-43CA7882-CD0E-4683-95F0-BA3851F70B5B

P2860

Electronic structure and molecular dynamics of breaking the RO-NO2 bond.

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http://www.wikidata.org/entity/Q45946467

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2009 nî lūn-bûn

@nan

2009年の論文

@ja

2009年学术文章

@wuu

2009年学术文章

@zh

2009年学术文章

@zh-cn

2009年学术文章

@zh-hans

2009年学术文章

@zh-my

2009年学术文章

@zh-sg

2009年學術文章

@yue

2009年學術文章

@zh-hant

name

Electronic structure and molecular dynamics of breaking the RO-NO2 bond.

@en

Electronic structure and molecular dynamics of breaking the RO-NO2 bond.

@nl

type

Item

label

Electronic structure and molecular dynamics of breaking the RO-NO2 bond.

@en

Electronic structure and molecular dynamics of breaking the RO-NO2 bond.

@nl

prefLabel

Electronic structure and molecular dynamics of breaking the RO-NO2 bond.

@en

Electronic structure and molecular dynamics of breaking the RO-NO2 bond.

@nl

P1476

Electronic structure and molecular dynamics of breaking the RO-NO2 bond

@en

P2093

Igor V Schweigert

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

P2860

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Density-functional exchange-energy approximation with correct asymptotic behavior

Density-functional thermochemistry. III. The role of exact exchange

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

Coupled-cluster theory in quantum chemistry

Shock Waves in High-Energy Materials: The Initial Chemical Events in Nitramine RDX

ReaxFF: A Reactive Force Field for Hydrocarbons

Describing static correlation in bond dissociation by Kohn-Sham density functional theory.

Ultrafast spectroscopy of shock waves in molecular materials.

Ab initio and direct quasiclassical-trajectory study of the F+CH4-->HF+CH3 reaction.

P304

244110

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P31

scholarly article

P356

10.1063/1.3155081

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P407

English

P433

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P478

130

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P50

Brett I. Dunlap

P577

2009-06-01T00:00:00Z

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

P698

19566145

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

Electronic structure and molecular dynamics of breaking the RO-NO2 bond.

about

P2860

P2860

Electronic structure and molecular dynamics of breaking the RO-NO2 bond.

description

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P1476

P2093

P2860

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P50

P577

P698

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

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P698