A dispersion-corrected density functional theory case study on ethyl acetate conformers, dimer, and molecular crystal
出版年份 2013 全文链接
标题
A dispersion-corrected density functional theory case study on ethyl acetate conformers, dimer, and molecular crystal
作者
关键词
Density functional theory, Dispersion corrections, Molecular conformation, Crystal structure prediction
出版物
THEORETICAL CHEMISTRY ACCOUNTS
Volume 132, Issue 11, Pages -
出版商
Springer Nature
发表日期
2013-09-23
DOI
10.1007/s00214-013-1399-8
参考文献
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