Physical Chemistry Chemical Physics
1463-9084
Cơ quản chủ quản: ROYAL SOC CHEMISTRY , Royal Society of Chemistry
Lĩnh vực:
Physical and Theoretical ChemistryPhysics and Astronomy (miscellaneous)
Các bài báo tiêu biểu
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A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions
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We present the updated and extended GMTKN55 benchmark database for more accurate and extensive energetic evaluation of density functionals and other electronic structure methods with detailed guidelines for method users.
Molecular states of water in room temperature ionic liquidsElectronic Supplementary Information available. See http://www.rsc.org/suppdata/cp/b1/b106900d/
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”Developing paradigms of chemical bonding: adaptive natural density partitioning
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