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The Journal of Chemical Physics|September 18, 2007
Making four- and two-component relativistic density functional methods fully equivalent based on the idea of "from atoms to molecule"Daoling Peng, Wenjian Liu, Yunlong Xiao, et al.The Journal of Chemical Physics|June 15, 2007
Four-component relativistic theory for nuclear magnetic shielding constants: critical assessments of different approachesYunlong Xiao, Wenjian Liu, Lan Cheng, et al.Accounts of Chemical Research|March 1, 2024
2D Conjugated Metal-Organic Frameworks: Defined Synthesis and Tailor-Made FunctionsJingjuan Liu, Guolong Xing, Long ChenAngewandte Chemie (International Ed. in English)|April 8, 2025
Optimizing Charge Separated Synergistic Binding Sites in Self-Healing Crystalline Porous Organic Salts for Benchmark Trace Alkyne/Alkene SeparationYunjia Jiang, Lingyao Wang, Guolong Xing, et al.RSC Advances|May 6, 2022
A nonlinear optical switch induced by an external electric field: inorganic alkaline-earth alkalideBo Li, Daoling Peng, Feng Long Gu, et al.Journal of Chemical Theory and Computation|November 20, 2025
Electronic Excitation Energy Calculations with Configuration Interaction Based on Nonorthogonal Localized Molecular OrbitalsFeng Long Gu, Daoling Peng, Liang Peng, et al.Journal of Chemical Theory and Computation|April 13, 2022
Regularized Localized Molecular Orbitals in a Divide-and-Conquer Approach for Linear Scaling CalculationsLiang Peng, Daoling Peng, Feng Long Gu, et al.The Journal of Organic Chemistry|November 19, 2013
Theoretical study on the mechanism of stereoselective synthesis of oxazolidinonesAbing Duan, Liang Peng, Daoling Peng, et al.Physical Chemistry Chemical Physics : PCCP|June 10, 2025
Theoretical prediction of pressure-stabilized all-nitrogen N12 molecular crystals with π-π stackingLei Zhao, Zelin Ma, Daoling Peng, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|February 3, 2023
AuNP-Modulated qPCR: An Optimized System for Detecting MIR Biophotons Released in DNA ReplicationYu Yang, Daoling Peng, Zhenglong Gu, et al.Pageof 10