Aiming for Benchmark Accuracy with the Many-Body Expansion (English)
- New search for: Richard, Ryan M.
- New search for: Lao, Ka Un
- New search for: Herbert, John M.
- New search for: Richard, Ryan M.
- New search for: Lao, Ka Un
- New search for: Herbert, John M.
In:
Accounts of Chemical Research
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47
, 9
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2828-2836
;
2014
- Article (Journal) / Electronic Resource
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Title:Aiming for Benchmark Accuracy with the Many-Body Expansion
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Additional title:Acc. Chem. Res.
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Contributors:
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Published in:Accounts of Chemical Research ; 47, 9 ; 2828-2836
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Publisher:
- New search for: American Chemical Society
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Publication date:2014-09-16
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ISSN:
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Coden:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Source:
Table of contents – Volume 47, Issue 9
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 2711
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Beyond QM/MM: Fragment Quantum Mechanical MethodsGao, Jiali / Zhang, John Z. H. / Houk, Kendall N. et al. | 2014
- 2712
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Generalized Energy-Based Fragmentation Approach and Its Applications to Macromolecules and Molecular AggregatesLi, Shuhua / Li, Wei / Ma, Jing et al. | 2014
- 2721
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Ab Initio Molecular Crystal Structures, Spectra, and Phase DiagramsHirata, So / Gilliard, Kandis / He, Xiao / Li, Jinjin / Sode, Olaseni et al. | 2014
- 2731
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Quantum Mechanical Fragment Methods Based on Partitioning Atoms or Partitioning CoordinatesWang, Bo / Yang, Ke R. / Xu, Xuefei / Isegawa, Miho / Leverentz, Hannah R. / Truhlar, Donald G. et al. | 2014
- 2739
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Molecular Tailoring Approach: A Route for ab Initio Treatment of Large ClustersSahu, Nityananda / Gadre, Shridhar R. et al. | 2014
- 2748
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Fragment Quantum Mechanical Calculation of Proteins and Its ApplicationsHe, Xiao / Zhu, Tong / Wang, Xianwei / Liu, Jinfeng / Zhang, John Z. H. et al. | 2014
- 2768
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Embedded Correlated Wavefunction Schemes: Theory and ApplicationsLibisch, Florian / Huang, Chen / Carter, Emily A. et al. | 2014
- 2758
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Localization of Molecular Orbitals: From Fragments to MoleculeLi, Zhendong / Li, Hongyang / Suo, Bingbing / Liu, Wenjian et al. | 2014
- 2776
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The Combined Fragmentation and Systematic Molecular Fragmentation MethodsCollins, Michael A. / Cvitkovic, Milan W. / Bettens, Ryan P. A. et al. | 2014
- 2786
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Efficient and Accurate Fragmentation MethodsPruitt, Spencer R. / Bertoni, Colleen / Brorsen, Kurt R. / Gordon, Mark S. et al. | 2014
- 2795
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Some Practical Approaches to Treating Electrostatic Polarization of ProteinsJi, Changge / Mei, Ye et al. | 2014
- 2804
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Using Quantum Mechanical Approaches to Study Biological SystemsMerz, Kenneth M. et al. | 2014
- 2812
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Recent Advances toward a General Purpose Linear-Scaling Quantum Force FieldGiese, Timothy J. / Huang, Ming / Chen, Haoyuan / York, Darrin M. et al. | 2014
- 2821
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Fuzzy Electron Density Fragments in Macromolecular Quantum Chemistry, Combinatorial Quantum Chemistry, Functional Group Analysis, and Shape–Activity RelationsMezey, Paul G. et al. | 2014
- 2828
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Aiming for Benchmark Accuracy with the Many-Body ExpansionRichard, Ryan M. / Lao, Ka Un / Herbert, John M. et al. | 2014
- 2837
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Explicit Polarization: A Quantum Mechanical Framework for Developing Next Generation Force FieldsGao, Jiali / Truhlar, Donald G. / Wang, Yingjie / Mazack, Michael J. M. / Löffler, Patrick / Provorse, Makenzie R. / Rehak, Pavel et al. | 2014
- 2846
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The Use of Many-Body Expansions and Geometry Optimizations in Fragment-Based MethodsFedorov, Dmitri G. / Asada, Naoya / Nakanishi, Isao / Kitaura, Kazuo et al. | 2014
- 2857
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Ab Initio Nonadiabatic Dynamics of Multichromophore Complexes: A Scalable Graphical-Processing-Unit-Accelerated Exciton FrameworkSisto, Aaron / Glowacki, David R. / Martinez, Todd J. et al. | 2014