Xiangqian Hu
Nankai University(CN)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Nonlinear Optical Materials Research, Synthetic Organic Chemistry Methods, Protein Structure and Dynamics
Most-Cited Works
- → Concerted O atom–proton transfer in the O—O bond forming step in water oxidation(2010)324 cited
- → Noncovalent Interaction Analysis in Fluctuating Environments(2013)223 cited
- → Improving Band Gap Prediction in Density Functional Theory from Molecules to Solids(2011)196 cited
- → Designing Molecules by Optimizing Potentials(2006)144 cited
- → Singlet−Triplet Energy Gaps for Diradicals from Fractional-Spin Density-Functional Theory(2010)120 cited
- → Tension Trapping of Carbonyl Ylides Facilitated by a Change in Polymer Backbone(2012)103 cited
- → Accelerating self-consistent field convergence with the augmented Roothaan–Hall energy function(2010)103 cited
- → Exploring biological electron transfer pathway dynamics with the Pathways Plugin for VMD(2012)93 cited
- → Ab initio quantum mechanical/molecular mechanical simulation of electron transfer process: Fractional electron approach(2008)68 cited
- → Large Hyperpolarizabilities at Telecommunication-Relevant Wavelengths in Donor–Acceptor–Donor Nonlinear Optical Chromophores(2016)66 cited