First-principles assessment of CO2 capture mechanisms in aqueous piperazine solution.

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Understanding CO2 capture mechanisms in aqueous hydrazine via combined NMR and first-principles studies.

P2860

Q53098478-0B78ED4F-68E4-4ED2-9A9C-940009501123

P2860

First-principles assessment of CO2 capture mechanisms in aqueous piperazine solution.

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http://www.wikidata.org/entity/Q51143902

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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

@wuu

2016年学术文章

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2016年学术文章

@zh-cn

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

@zh-hant

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First-principles assessment of CO2 capture mechanisms in aqueous piperazine solution.

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First-principles assessment of CO2 capture mechanisms in aqueous piperazine solution.

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Item

label

First-principles assessment of CO2 capture mechanisms in aqueous piperazine solution.

@en

First-principles assessment of CO2 capture mechanisms in aqueous piperazine solution.

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First-principles assessment of CO2 capture mechanisms in aqueous piperazine solution.

@en

First-principles assessment of CO2 capture mechanisms in aqueous piperazine solution.

@nl

P1476

First-principles assessment of CO2 capture mechanisms in aqueous piperazine solution.

@en

P2093

Eunsu Paek

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

Gyeong S Hwang

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

Haley M Stowe

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P2860

From ultrasoft pseudopotentials to the projector augmented-wave method

Canonical dynamics: Equilibrium phase-space distributions

Generalized Gradient Approximation Made Simple

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

The missing term in effective pair potentials

Development and testing of a general amber force field

Reactions of CO2 with aqueous piperazine solutions: formation and decomposition of mono- and dicarbamic acids/carbamates of piperazine at 25.0 °C.

TRAVIS - a free analyzer and visualizer for Monte Carlo and molecular dynamics trajectories.

Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions.

P304

25296-25307

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

P31

scholarly article

P356

10.1039/C6CP03584A

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P407

English

P433

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

P478

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

P577

2016-09-01T00:00:00Z

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P698

27711409

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First-principles assessment of CO2 capture mechanisms in aqueous piperazine solution.

about

P2860

P2860

First-principles assessment of CO2 capture mechanisms in aqueous piperazine solution.

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P577

P698

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P577

P698