CO2 adsorption-induced structural changes in coordination polymer ligands elucidated via molecular simulations and experiments.

about

CO2 adsorption-induced structural changes in coordination polymer ligands elucidated via molecular simulations and experiments.

Item

http://www.wikidata.org/entity/Q39306880

description

2016 nî lūn-bûn

@nan

2016年の論文

@ja

2016年学术文章

@wuu

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

2016年學術文章

@zh-hant

name

CO2 adsorption-induced structu ...... r simulations and experiments.

@en

CO2 adsorption-induced structu ...... r simulations and experiments.

@nl

type

Item

label

CO2 adsorption-induced structu ...... r simulations and experiments.

@en

CO2 adsorption-induced structu ...... r simulations and experiments.

@nl

prefLabel

CO2 adsorption-induced structu ...... r simulations and experiments.

@en

CO2 adsorption-induced structu ...... r simulations and experiments.

@nl

P1476

CO2 adsorption-induced structu ...... ar simulations and experiments

@en

P2093

Diego A Gómez-Gualdrón

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

María C Curet-Arana

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

Paul J Meza-Morales

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

Rodinson R Arrieta-Perez

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

P2860

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

Chemistry and application of flexible porous coordination polymers

UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

Nanochannel-promoted polymerization of substituted acetylenes in porous coordination polymers.

Hysteretic adsorption of CO₂ onto a Cu₂(pzdc)₂(bpy) porous coordination polymer and concomitant framework distortion.

Ab-initio simulations of materials using VASP: Density-functional theory and beyond.

Soft porous crystals.

A pillared-layer coordination polymer network displaying hysteretic sorption: [Cu(2)(pzdc)(2)(dpyg)](n) (pzdc= pyrazine-2,3-dicarboxylate; dpyg=1,2-Di(4-pyridyl)glycol).

Force-Field Development from Electronic Structure Calculations with Periodic Boundary Conditions: Applications to Gaseous Adsorption and Transport in Metal-Organic Frameworks.

Guest sorption and desorption in the metal-organic framework [Co(INA)(2)] (INA=isonicotinate)--evidence of intermediate phases during desorption.

P304

17168-17178

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

P31

scholarly article

P356

10.1039/C6DT02994A

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

P407

English

P433

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

P478

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

P50

Randall Q Snurr

Arturo J Hernández-Maldonado

P577

2016-11-01T00:00:00Z

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

P698

27722350

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