Yan Zhao

Atomic and Molecular Physics, and Optics · Journal of Chemical Theory and Computation · 2004–2014

A researcher in the Science corpus: 19 papers; trusts 24 researchers and is trusted by 55 researchers here, as inferred from the citation graph.

Subfields

• Atomic and Molecular Physics, and Optics — 199 citations into it; #139 of 7,135 by trust here, #156 by citations
• Materials Chemistry — 61 citations into it; #369 of 11,513 by trust here, #1,564 by citations
• Physical and Theoretical Chemistry — 60 citations into it; #22 of 671 by trust here, #17 by citations
• Spectroscopy — 43 citations into it; #1,023 of 1,674 by trust here, #1,310 by citations
• Organic Chemistry — 42 citations into it; #87 of 1,495 by trust here, #168 by citations
• Catalysis — 33 citations into it; #85 of 460 by trust here, #167 by citations
• Molecular Biology — 25 citations into it
• Inorganic Chemistry — 23 citations into it; #684 of 820 by trust here, #743 by citations

Whom Yan Zhao trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

1. Donald G. Truhlar
2. Axel D. Becke
3. Stefan Grimme
4. J. Perdew
5. Gustavo E. Scuseria
6. V. Staroverov
7. Larry A. Curtiss
8. Jianmin Tao
9. A. Daniel Boese
10. Jochen Heyd

Who trusts Yan Zhao overall

1. Roberto Peverati
2. Donald G. Truhlar
3. Stefan Grimme
4. Narbe Mardirossian
5. Robert O. Jones
6. Lars Goerigk
7. Jeremy R. Greenwood
8. M. Head‐Gordon
9. T. Bereau
10. Christopher J. Cramer

Papers from Yan Zhao's perspective

Ordered by how strongly the researchers Yan Zhao trusts endorse each paper. Same corpus, a different order for every researcher.

1. Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions. (Journal of Chemical Theory and Computation)
2. Benchmark database of barrier heights for heavy atom transfer, nucleophilic substitution, association, and unimolecular reactions and its use to test theoretical methods. (Journal of Physical Chemistry A)
3. “Model”
4. QUANTUM THEORY & ATOMIC STRUCTURE
5. Left-right correlation energy
6. IL-13受体α2降低血吸虫病肉芽肿的炎症反应并延长宿主存活时间[英]/Mentink-Kane MM,Cheever AW，Thompson RW，et al//Proc Natl Acad Sci U S A
7. Density-functional exchange-energy approximation with correct asymptotic behavior.
8. Quantum Mechanics of Many-Electron Systems
9. A general algorithm for calculation of Heisenberg exchange integrals J in multispin systems
10. From density-matrix renormalization group to matrix product states

Their papers

• The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals (2008) — 26,073 citations
• A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions. (2006) — 4,463 citations
• Benchmark Databases for Nonbonded Interactions and Their Use To Test Density Functional Theory. (2005) — 729 citations
• Exchange-correlation functional with broad accuracy for metallic and nonmetallic compounds, kinetics, and noncovalent interactions. (2005) — 997 citations
• Exploring the Limit of Accuracy of the Global Hybrid Meta Density Functional for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions. (2008) — 1,038 citations
• Density functionals with broad applicability in chemistry. (2008) — 6,210 citations
• Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model Chemistries. (2010) — 1,430 citations
• Advances in molecular quantum chemistry contained in the Q-Chem 4 program package (2014) — 2,677 citations
• Generalized Gradient Approximation That Recovers the Second-Order Density-Gradient Expansion with Optimized Across-the-Board Performance (2011) — 199 citations
• Density Functional Theory for Reaction Energies: Test of Meta and Hybrid Meta Functionals, Range-Separated Functionals, and Other High-Performance Functionals (2011) — 206 citations
• On the Performances of the M06 Family of Density Functionals for Electronic Excitation Energies. (2010) — 414 citations
• A Prototype for Graphene Material Simulation : Structures and Interaction Potentials of Coronene Dimers (2008) — 146 citations
• Benchmark Data for Interactions in Zeolite Model Complexes and Their Use for Assessment and Validation of Electronic Structure Methods (2008) — 160 citations
• Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions. (2006) — 3,251 citations
• Comparative DFT study of van der Waals complexes: rare-gas dimers, alkaline-earth dimers, zinc dimer, and zinc-rare-gas dimers. (2006) — 729 citations
• Design of density functionals that are broadly accurate for thermochemistry, thermochemical kinetics, and nonbonded interactions. (2005) — 1,347 citations
• Benchmark database of barrier heights for heavy atom transfer, nucleophilic substitution, association, and unimolecular reactions and its use to test theoretical methods. (2005) — 701 citations
• Tests of second-generation and third-generation density functionals for thermochemical kineticsy (2004)
• Tests of second-generation and third-generation density functionals for thermochemical kineticsElectronic supplementary information (ESI) available: Mean errors for pure and hybrid DFT methods. See http://www.rsc.org/suppdata/cp/b3/b316260e/ (2004)