(Q46167153)

20 December 2017

title

Ab initio study of the interactions between CO(2) and N-containing organic heterocycles (English)

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20 December 2017

author

Wim Klopper

3

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20 December 2017

author name string

Konstantinos D Vogiatzis

1

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20 December 2017

Andreas Mavrandonakis

2

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20 December 2017

George E Froudakis

4

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20 December 2017

publication date

1 February 2009

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20 December 2017

published in

ChemPhysChem

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20 December 2017

volume

10

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20 December 2017

issue

2

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20 December 2017

page(s)

374-383

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20 December 2017

Plasticization-enhanced hydrogen purification using polymeric membranes.

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Designing adsorbents for CO2 capture from flue gas-hyperbranched aminosilicas capable of capturing CO2 reversibly

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Supercritical fluids as solvents for chemical and materials processing

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7 January 2021

Molecular trees for green chemistry

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Specific Intermolecular Interaction of Carbon Dioxide with Polymers

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Raman spectroscopic evidence for cooperative C-H...O interactions in the acetaldehyde-CO2 complex.

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7 January 2021

Electronic structure calculations on workstation computers: The program system turbomole

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7 January 2021

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

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7 January 2021

Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions

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7 January 2021

Scope and limitations of the SCS-MP2 method for stacking and hydrogen bonding interactions

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7 January 2021

A fifth-order perturbation comparison of electron correlation theories

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7 January 2021

On the convergence of the (ΔECCSD(T)−ΔEMP2) term for complexes with multiple H-bonds

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7 January 2021

Scaled opposite-spin second order Møller-Plesset correlation energy: an economical electronic structure method

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7 January 2021

Semiempirical GGA-type density functional constructed with a long-range dispersion correction.

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7 January 2021

A graphics program for the analysis and display of molecular dynamics trajectories

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7 January 2021

Visualization of solvation structures in liquid mixtures

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7 January 2021

Ab initio study of substituent effects in the interactions of dimethyl ether with aromatic rings.

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7 January 2021

Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatment

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7 January 2021

Intercalators. 1. Nature of stacking interactions between intercalators (ethidium, daunomycin, ellipticine, and 4',6-diaminide-2-phenylindole) and DNA base pairs. Ab initio quantum chemical, density functional theory, and empirical potential study

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7 January 2021

Identifiers

DOI

10.1002/CPHC.200800583

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20 December 2017

1 reference

20 December 2017