Toward Fully in Silico Melting Point Prediction Using Molecular Simulations-Reference-Cited by-同舟云学术

Toward Fully in Silico Melting Point Prediction Using Molecular Simulations

Published:2013-02-19 Issue:3 Volume:9 Page:1592-1599
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Zhang Yong¹,Maginn Edward J.¹

Affiliation:

1. Department of Chemical and Biomolecular Engineering, University of Notre Dame, Notre Dame, Indiana 46556, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct301095j

Reference47 articles.

1. A comparison of methods for melting point calculation using molecular dynamics simulations

2. Zhang, S.; Lu, X.; Zhang, Y.; Zhou, Q.; Sun, J.; Han, L.; Yue, G.; Liu, X.; Cheng, W.; Li, S.InMolecular Thermodynamics of Complex Systems: Structure and Bonding;Lu, X.; Hu, Y., Eds.Springer Verlag:Berlin/Heidelberg, 2009; Vol.131, pp143–191.

3. Preparation of Inorganic Materials Using Ionic Liquids

4. Room-Temperature Ionic Liquids: Solvents for Synthesis and Catalysis. 2

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