Computer Prediction of Organic Crystal Structures Using Partial X-ray Diffraction Data-Reference-Cited by-同舟云学术

Computer Prediction of Organic Crystal Structures Using Partial X-ray Diffraction Data

Published:1996-01-01 Issue:30 Volume:118 Page:7153-7157
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Gavezzotti Angelo¹,Filippini Giuseppe¹

Affiliation:

1. Contribution from the Dipartimento di Chimica Strutturale e Stereochimica Inorganica and Centro CNR per lo Studio delle Relazioni tra Struttura e Reattività Chimica, Università di Milano, Milano, Italy

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja9540637

Reference30 articles.

1. Prediction of possible crystal structures for C-, H-, N-, O-, and F-containing organic compounds

2. Ab Initio prediction of possible crystal structures for general organic molecules

3. Attempted prediction of the crystal structures of six monosaccharides

4. Ab initio molecular packing analysis

5. Generation of possible crystal structures from molecular structure for low-polarity organic compounds

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