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Chemical Science|February 28, 2019
A double helix of opposite charges to form channels with unique CO2 selectivity and dynamicsGuolong Xing, Irene Bassanetti, Silvia Bracco, et al.The Journal of Chemical Physics|September 1, 2006
Infinite-order quasirelativistic density functional method based on the exact matrix quasirelativistic theoryWenjian Liu, Daoling PengThe Journal of Chemical Physics|February 5, 2009
An arbitrary order Douglas-Kroll method with polynomial costDaoling Peng, Kimihiko HiraoThe Journal of Chemical Physics|July 5, 2012
Local relativistic exact decouplingDaoling Peng, Markus ReiherThe Journal of Chemical Physics|July 24, 2009
Exact two-component Hamiltonians revisitedWenjian Liu, Daoling PengThe Journal of Chemical Physics|March 9, 2007
Four-component relativistic theory for nuclear magnetic shielding constants: the orbital decomposition approachYunlong Xiao, Daoling Peng, Wenjian LiuThe Journal of Chemical Physics|October 22, 2005
Time-dependent quasirelativistic density-functional theory based on the zeroth-order regular approximationDaoling Peng, Wenli Zou, Wenjian LiuNature Communications|July 2, 2025
Fluorine-induced gradient electric field in mesoporous covalent organic frameworks for efficient separation of polarized perfluorinated gasesMengyao Chen, Yu Zhao, Dan Wen, et al.Journal of Computational Chemistry|September 29, 2011
A semiempirical long-range corrected exchange correlation functional including a short-range Gaussian attenuation (LCgau-B97)Jong-Won Song, Daoling Peng, Kimihiko HiraoThe Journal of Chemical Physics|May 17, 2013
An efficient implementation of two-component relativistic exact-decoupling methods for large moleculesDaoling Peng, Nils Middendorf, Florian Weigend, et al.Pageof 10