- [2018-11-15] From Dichalcogenolate-protected group 11 metal hydrides to superatomic alloys 2018-10-26
- [2018-11-15] Kinetic Isotope Effect and Tunneling: Effective Probes of the Reactive-Spin-State and the Stereo Chemistry of the Transition State During Hydrog... 2018-10-26
- [2018-11-09] Chemistry with the Computer 2018-10-26
- [2018-10-30] Dynamic behaviour and catalysis in metal-organic frameworks (MOFs) 2018-10-26
- [2018-11-01] Metal-Supported 2-D Oxide Systems: Substrate Coupling, Commensurability and Strain Effects 2018-10-19
- [2018-10-11] Electron-phonon Interaction Using All-electron Numeric Atom-centered Orbitals 2018-10-09
- [2018-09-18] Using N, O to get Yes. Catalytic Amination for Small Molecule and Polymer Synthesis 2018-09-18
- [2018-09-18] Machine Learning for Accelerating Quantum Chemical Simulations(2) 2018-09-18
- [2018-09-19] Machine Learning for Accelerating Quantum Chemical Simulations 2018-09-17
- [2018-09-18] Semiempirical Quantum Chemical Methods for Efficient Simulations 2018-09-17
Title: From Dichalcogenolate-protected group 11 metal hydrides to superatomic alloySpeaker: Prof. Chen-Wei Liu, Donghua UniversityDate/Time: 16:00 PM, Nov. 15, 2018Location： Room 202, Luji...
Title: Kinetic Isotope Effect and Tunneling: Effective Probes of the Reactive-Spin-State and the Stereo Chemistry of the Transition State During Hydrogen Abstraction Reactions of Oxoiron (IV) Com...
Title: Chemistry with the ComputerSpeaker: Prof. Walter Thiel Max Planck Institute, Germany Date/Time: 3:00-5:00 PM, Nov.9, 2018Location: Room 202, Lujiaxi BuildingAbstract:&nbs...
Title: Dynamic behaviour and catalysis in metal-organic frameworks (MOFs)Speaker: Prof. Lee Brammer The University of Sheffield, UK Date/Time: 4:30-6:00 PM, Oct. 30, 2018. Location: Room 202...
Title: Metal-Supported 2-D Oxide Systems: Substrate Coupling, Commensurability and Strain EffectsSpeaker: Prof. Falko P. Netzer，Institute of Physics, Surface and Interface Physics，Karl-Franzen...
Title: Electron-phonon Interaction Using All-electron Numeric Atom-centered OrbitalsSpeaker: Dr. Honghui Shang, The Institute of Computing Technology of the Chinese Academy of SciencesD...
Title: Using N, O to get Yes. Catalytic Amination for Small Molecule and Polymer SynthesisSpeaker: Prof. Laurel L. Schafer, Associate Editor Organometallics ...
Title: Machine Learning for Accelerating Quantum Chemical Simulations(2)Speaker: Dr.Pavlo Dral, Max-Planck-Institut für KohlenforschungDate/Time: 10:00 AM, Sep. 20, 2018 (Thur.)Location...
Title: Machine Learning for Accelerating Quantum Chemical Simulations Speaker: Dr.Pavlo Dral, Max-Planck-Institut für Kohlenforschung Date/Time: 9月19日（周三）上午10:00 AM, Sep. 19, 2018 (Wed.) Locat...
Title: Semiempirical Quantum Chemical Methods for Efficient Simulations Speaker: Dr.Pavlo Dral, Max-Planck-Institut für Kohlenforschung Date/Time: 10:00 AM, Sep. 18, 2018(Tues.) Location: Room 202, Lu...