Prediction of the Unknown Crystal Structure of Creatine Using Fully Quantum Mechanical Methods-Reference-Cited by-同舟云学术

Prediction of the Unknown Crystal Structure of Creatine Using Fully Quantum Mechanical Methods

Published:2011-11-16 Issue:12 Volume:11 Page:5733-5740
ISSN:1528-7483
Container-title:Crystal Growth & Design
language:en
Short-container-title:Crystal Growth & Design

Author:

King Matthew D.¹,Blanton Thomas N.²,Misture Scott T.³,Korter Timothy M.¹

Affiliation:

1. Department of Chemistry, Syracuse University, 1-014 Center for Science and Technology, 111 College Place, Syracuse, New York 13244-4100, United States

2. Eastman Kodak Company, Research Laboratories, 66 Eastman Avenue, Rochester, New York 14650-2106, United States

3. Department of Materials Science & Engineering, Alfred University, New York State College of Ceramics, Alfred, New York 14802, United States

Publisher

American Chemical Society (ACS)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/cg2013599

Reference56 articles.

1. Upack program package for crystal structure prediction: Force fields and crystal structure generation for small carbohydrate molecules

2. A possible crystal structure of 1,2-dimethoxyethane: prediction based on a lattice variable molecular dynamics

3. Totallyab InitioPrediction of the Structures of CO2Molecular Crystal

4. Predicting the crystal structure of organic molecular materials

5. Predictions of Crystal Packings for Uracil, 6-Azauracil, and Allopurinol: The Interplay between Hydrogen Bonding and Close Packing

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