Development of Many−Body Polarizable Force Fields for Li-Battery Components: 1. Ether, Alkane, and Carbonate-Based Solvents-Reference-Cited by-同舟云学术

Development of Many−Body Polarizable Force Fields for Li-Battery Components: 1. Ether, Alkane, and Carbonate-Based Solvents

Published:2006-03-01 Issue:12 Volume:110 Page:6279-6292
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Borodin Oleg¹,Smith Grant D.¹

Affiliation:

1. Department of Materials Science & Engineering, 122 South Central Campus Drive, Room 304, University of Utah, Salt Lake City, Utah 84112, and Department of Chemical Engineering, University of Utah, Salt Lake City, Utah 84112

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp055079e

Reference103 articles.

1. A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

2. How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?

3. Molecular mechanical models for organic and biological systems going beyond the atom centered two body additive approximation: aqueous solution free energies of methanol and N-methyl acetamide, nucleic acid base, and amide hydrogen bonding and chloroform/water partition coefficients of the nucleic acid bases

4. COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds

5. Computer simulations of poly(ethylene oxide): force field, pvt diagram and cyclization behaviour

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