Theoretical quantum chemistry
Recently Published Articles
|August 27, 2026
Assignment of H2O-HF rotational lines via ab initio calculations
Roman I Ovsyannikov, Sergei P Belov, German Y Golubiatnikov, Dominika Viglaska, Xiao-Gang Wang, Tucker Carrington, Nikolai F Zobov, Jonathan Tennyson, Oleg L Polyansky
|August 27, 2026
Configurational entropy as a potential metric for empirical potential development and validation
Jinping Luo, Lijun Liu, Jack F Douglas, Talid Sinno
|August 27, 2026
Multi-Objective Loss Function For Free Energy Calculations
Libina Bovan Thomas, Ali Risheh, Negin Forouzesh
|August 27, 2026
A cryogenic characterization platform for commercial off-the-shelf (COTS) electronic devices in liquid xenon detectors for high-energy physics experiments
Yang Liu, Jiannan Tang, Yi Fu, Wei Zhi, Weihao Wu
|August 27, 2026
Energy Transfer Pathways in Plant Photosystem I from First-Principles Modeling
Elena Betti, Lorenzo Cupellini
|August 27, 2026
Geometric Phase-Induced Stückelberg Interference in an Optical Lattice Clock
Wei-Xin Liu, Zhan-Peng Lu, Tao Wang
|August 27, 2026
Ion-Pair Confinement Enables Through-Space Charge Transfer for Negative Thermal Quenching Blue-Emitting Scintillators in High-Resolution X-Ray Imaging
Qunbo Mei, Junjie Ye, Nianshu Li, Le Li, Qian Cao, Kang Xiao, Xiangmei Liu