A Practical Guide to Reliable First Principles Computational Thermochemistry Predictions Across the Periodic Table
about
Toward a W4-F12 approach: Can explicitly correlated and orbital-based ab initio CCSD(T) limits be reconciled?Basis set convergence of CCSD(T) equilibrium geometries using a large and diverse set of molecular structures.Composite vibrational spectroscopy of the group 12 difluorides: ZnF2, CdF2, and HgF2.Correlation consistent basis sets for actinides. II. The atoms Ac and Np-Lr.Toward reliable modeling of S-nitrosothiol chemistry: Structure and properties of methyl thionitrite (CH3SNO), an S-nitrosocysteine model.The cc-pV5Z-F12 basis set: reaching the basis set limit in explicitly correlated calculations
P2860
A Practical Guide to Reliable First Principles Computational Thermochemistry Predictions Across the Periodic Table
description
2012 nî lūn-bûn
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2012 թուականին հրատարակուած գիտական յօդուած
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2012 թվականին հրատարակված գիտական հոդված
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2012年の論文
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2012年論文
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2012年論文
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2012年論文
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2012年論文
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2012年論文
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2012年论文
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name
A Practical Guide to Reliable ...... ions Across the Periodic Table
@ast
A Practical Guide to Reliable ...... ions Across the Periodic Table
@en
type
label
A Practical Guide to Reliable ...... ions Across the Periodic Table
@ast
A Practical Guide to Reliable ...... ions Across the Periodic Table
@en
prefLabel
A Practical Guide to Reliable ...... ions Across the Periodic Table
@ast
A Practical Guide to Reliable ...... ions Across the Periodic Table
@en
P2093
P1476
A Practical Guide to Reliable ...... ions Across the Periodic Table
@en
P2093
David A. Dixon
David Feller
Kirk A. Peterson
P356
10.1016/B978-0-444-59440-2.00001-6
P577
2012-01-01T00:00:00Z