Qin Cai

Development of Polarizable Models for Molecular Mechanical Calculations II: Induced Dipole Models Significantly Improve Accuracy of Intermolecular Interaction Energies

Junmei Wang, Piotr Cieplak, Jie Li et al. · The Journal of Physical Chemistry B · 2011 · 135 citations

Thole Linear, Engineering, Polarizable Models +17

Rhodium-Catalyzed Enantioselective Hydrogenation of Tetrasubstituted α-Acetoxy β-Enamido Esters: A New Approach to Chiral α-Hydroxyl-β-amino Acid Derivatives

Qingli Wang, Wenhua Huang, Haoquan Yuan et al. · Journal of the American Chemical Society · 2014 · 98 citations

Engineering, Natural Sciences, Diversity-oriented Synthesis +13

Performance of Nonlinear Finite-Difference Poisson−Boltzmann Solvers

Qin Cai, Meng‐Juei Hsieh, Jun Wang et al. · Journal of Chemical Theory and Computation · 2009 · 97 citations

Numerical Analysis, Numerical Method For Partial Differential Equation, Numerical Computation +14

Reducing Grid Dependence in Finite-Difference Poisson–Boltzmann Calculations

Jun Wang, Qin Cai, Ye Xiang et al. · Journal of Chemical Theory and Computation · 2012 · 79 citations · Full text

Numerical Analysis, Engineering, Computational Chemistry +19

One-Step Synthesis of Rox-DNA Functionalized CdZnTeS Quantum Dots for the Visual Detection of Hydrogen Peroxide and Blood Glucose

Guobin Mao, Qin Cai, Fubing Wang et al. · Analytical Chemistry · 2017 · 78 citations