Building Blocks of Crystal Engineering: A Large-Database Study of the Intermolecular Approach between C–H Donor Groups and O, N, Cl, or F Acceptors in Organic Crystals-Reference-Cited by-同舟云学术

Building Blocks of Crystal Engineering: A Large-Database Study of the Intermolecular Approach between C–H Donor Groups and O, N, Cl, or F Acceptors in Organic Crystals

Published:2016-04-15 Issue:5 Volume:16 Page:2952-2962
ISSN:1528-7483
Container-title:Crystal Growth & Design
language:en
Short-container-title:Crystal Growth & Design

Author:

Gavezzotti Angelo¹,Presti Leonardo Lo¹²³

Affiliation:

1. Department of Chemistry, Università degli Studi di Milano, Via Golgi 19, I−20133 Milano, Italy

2. Center for Materials Crystallography, Aarhus University, Langelandsgade 140, 8000 Aarhus, Denmark

3. Institute of Molecular Sciences and Technologies, CNR-ISTM, Via Golgi 19, I−20133 Milano, Italy

Funder

Centre for Materials Crystallography, Aarhus Universitet

Publisher

American Chemical Society (ACS)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.cgd.6b00305

Reference38 articles.

1. Assessment of the Performance of DFT and DFT-D Methods for Describing Distance Dependence of Hydrogen-Bonded Interactions

2. Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs

3. Dispersion-Corrected Density Functional Theory for Aromatic Interactions in Complex Systems

4. Calculation of Intermolecular Interaction Energies by Direct Numerical Integration over Electron Densities. 2. An Improved Polarization Model and the Evaluation of Dispersion and Repulsion Energies

5. How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of ε-glycine

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