(Q43180580)

English

Impact of ligands on CO(2) adsorption in metal-organic frameworks: First principles study of the interaction of CO(2) with functionalized benzenes. II. Effect of polar and acidic substituents

scientific article published in January 2010

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scholarly article

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Europe PubMed Central

PubMed publication ID

15 November 2017

Impact of ligands on CO(2) adsorption in metal-organic frameworks: First principles study of the interaction of CO(2) with functionalized benzenes. II. Effect of polar and acidic substituents (English)

1 reference

Europe PubMed Central

PubMed publication ID

15 November 2017

Metal-organic framework

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based on heuristic

inferred from title

Caroline Mellot-Draznieks

2

object named as

Caroline Mellot-Draznieks

1 reference

Europe PubMed Central

PubMed publication ID

15 November 2017

author name string

Antonio Torrisi

1

1 reference

Europe PubMed Central

PubMed publication ID

15 November 2017

Robert G Bell

3

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Europe PubMed Central

PubMed publication ID

15 November 2017

language of work or name

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publication date

1 January 2010

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Europe PubMed Central

PubMed publication ID

15 November 2017

Journal of Chemical Physics

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Europe PubMed Central

PubMed publication ID

15 November 2017

132

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Europe PubMed Central

PubMed publication ID

15 November 2017

4

1 reference

Europe PubMed Central

PubMed publication ID

15 November 2017

044705

1 reference

Europe PubMed Central

PubMed publication ID

15 November 2017

Metal–organic frameworks: a new class of porous materials

1 reference

https://api.crossref.org/works/10.1063%2F1.3276105

21 January 2018

Dynamic porous properties of coordination polymers inspired by hydrogen bonds

1 reference

https://api.crossref.org/works/10.1063%2F1.3276105

21 January 2018

Impact of ligands on CO2 adsorption in metal-organic frameworks: first principles study of the interaction of CO2 with functionalized benzenes. I. Inductive effects on the aromatic ring.

1 reference

https://api.crossref.org/works/10.1063%2F1.3276105

21 January 2018

Systematic design of pore size and functionality in isoreticular MOFs and their application in methane storage

1 reference

https://api.crossref.org/works/10.1063%2F1.3276105

21 January 2018

Computational studies of molecular hydrogen binding affinities: the role of dispersion forces, electrostatics, and orbital interactions

1 reference

https://api.crossref.org/works/10.1063%2F1.3276105

21 January 2018

Control of pore size and functionality in isoreticular zeolitic imidazolate frameworks and their carbon dioxide selective capture properties.

1 reference

https://api.crossref.org/works/10.1063%2F1.3276105

21 January 2018

High-throughput synthesis of zeolitic imidazolate frameworks and application to CO2 capture

1 reference

https://api.crossref.org/works/10.1063%2F1.3276105

21 January 2018

Different adsorption behaviors of methane and carbon dioxide in the isotypic nanoporous metal terephthalates MIL-53 and MIL-47.

1 reference

https://api.crossref.org/works/10.1063%2F1.3276105

21 January 2018

From molecules to solids with the DMol3 approach

1 reference

https://api.crossref.org/works/10.1063%2F1.3276105

21 January 2018

Cooperative C-H...O hydrogen bonding in CO(2)-Lewis base complexes: implications for solvation in supercritical CO(2).

1 reference

https://api.crossref.org/works/10.1063%2F1.3276105

21 January 2018

How well can new-generation density functional methods describe stacking interactions in biological systems?

1 reference

https://api.crossref.org/works/10.1063%2F1.3276105

21 January 2018

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

1 reference

https://api.crossref.org/works/10.1063%2F1.3276105

21 January 2018

An all‐electron numerical method for solving the local density functional for polyatomic molecules

1 reference

https://api.crossref.org/works/10.1063%2F1.3276105

21 January 2018

Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions

1 reference

https://api.crossref.org/works/10.1063%2F1.3276105

21 January 2018

Identifiers

10.1063/1.3276105

1 reference

Europe PubMed Central

PubMed publication ID

15 November 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

15 November 2017

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