Assessing the Accuracy of Density Functional and Semiempirical Wave Function Methods for Water Nanoparticles: Comparing Binding and Relative Energies of (H2O)16 and (H2O)17 to CCSD(T) Results.
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Combined Docking with Classical Force Field and Quantum Chemical Semiempirical Method PM7Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications.Enhanced semiempirical QM methods for biomolecular interactions.Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions.Improving intermolecular interactions in DFTB3 using extended polarization from chemical-potential equalization.Intermolecular interactions in the condensed phase: Evaluation of semi-empirical quantum mechanical methods.Computational Study of the Interactions between Benzene and Crystalline Ice Ih : Ground and Excited States.
P2860
Q28817938-F75D58E9-CF0C-4724-B8A4-28168769DB1FQ36903666-5925F3E9-43F3-46DB-9766-1E72DC19714DQ38408928-88AA3A5B-9B31-4310-BDCF-003EE3B23641Q38836142-98624A1E-A8D4-45E6-B92A-858D9F3DD480Q42579668-C3A9DAF1-A0D0-415C-9907-DFFA5BC3327BQ47667902-1EF31CBC-5531-4B4B-912A-53EA66DCA153Q48053642-E11767F9-EBAC-47E7-B79D-6C3E7B92C3D5
P2860
Assessing the Accuracy of Density Functional and Semiempirical Wave Function Methods for Water Nanoparticles: Comparing Binding and Relative Energies of (H2O)16 and (H2O)17 to CCSD(T) Results.
description
2013 nî lūn-bûn
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2013年の論文
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2013年論文
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2013年論文
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2013年論文
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2013年論文
@zh-mo
2013年論文
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2013年论文
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2013年论文
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2013年论文
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name
Assessing the Accuracy of Dens ...... nd (H2O)17 to CCSD(T) Results.
@en
type
label
Assessing the Accuracy of Dens ...... nd (H2O)17 to CCSD(T) Results.
@en
prefLabel
Assessing the Accuracy of Dens ...... nd (H2O)17 to CCSD(T) Results.
@en
P356
P1476
Assessing the Accuracy of Dens ...... nd (H2O)17 to CCSD(T) Results.
@en
P2093
Hannah R Leverentz
Helena W Qi
P304
P356
10.1021/CT300848Z
P577
2013-01-02T00:00:00Z