Resolving the HONO formation mechanism in the ionosphere via ab initio molecular dynamic simulations

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Resolving the HONO formation mechanism in the ionosphere via ab initio molecular dynamic simulations

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2016 nî lūn-bûn

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2016年の論文

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2016年論文

@yue

2016年論文

@zh-hant

2016年論文

@zh-hk

2016年論文

@zh-mo

2016年論文

@zh-tw

2016年论文

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2016年论文

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2016年论文

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Resolving the HONO formation m ...... molecular dynamic simulations

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Item

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Resolving the HONO formation m ...... molecular dynamic simulations

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Resolving the HONO formation m ...... molecular dynamic simulations

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P1476

Resolving the HONO formation m ...... molecular dynamic simulations

@en

P2093

Chongqin Zhu

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

Jie Zhong

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Joseph S Francisco

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Xiao Cheng Zeng

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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

Canonical dynamics: Equilibrium phase-space distributions

Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases.

Rate of gas phase association of hydroxyl radical and nitrogen dioxide.

Unimolecular reactions of dihydrated alkaline earth metal dications M2+(H2O)2, M = Be, Mg, Ca, Sr, and Ba: salt-bridge mechanism in the proton-transfer reaction M2+(H2O)2 --> MOH+ + H3O.

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu.

The importance of NO+ (H2O)4 in the conversion of NO+ (H2O)n to H3O+ (H2O)n: I. Kinetics measurements and statistical rate modeling.

How the shape of an H-bonded network controls proton-coupled water activation in HONO formation.

Mimicking solvent shells in the gas phase. II. Solvation of K+.

P304

4629-4633

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P31

scholarly article

P356

10.1073/PNAS.1601651113

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P407

English

P433

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

P478

113

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P50

Rongxing He

Lei Li

P577

2016-04-11T00:00:00Z

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P698

27071120

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P932

4855577

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