Publications by authors named "Daoling Peng"

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E
Electronic Excitation Energy Calculations with Configuration Interaction Based on Nonorthogonal Localized Molecular Orbitals.
Feng Long Gu, Daoling Peng, Liang Peng, Weitao Yang

J Chem Theory Comput· December 2025

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Unlocking High-Performance Electrochemiluminescence in Supramolecular Coordination Frameworks via π-Bridge Engineering and Aggregation.
Ziqi Lian, Xinxin Liu, Yu Wang, Ying Ma, Tingyi Huang, Daoling Peng

Small· October 2025

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Covalent Organic Framework Hollow Rectangular Prism Enables Interfacial Binding of LiS Cathode for High-Performance Lithium-Ion Sulfur Battery.
Zhaoqiang Li, Meijuan Xiao, Qirui Cao, Can Guo, Miao Yu, Daoling Peng

Small· September 2025

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Amorphous/crystalline HTiNbO membranes for efficient confined flow synthesis of acetate ester flavours.
Zhenyuan Fang, Xiang Li, Yajie Bai, Yuhui Zhang, Guandi He, Daoling Peng

Nat Commun· July 2025

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Theoretical prediction of pressure-stabilized all-nitrogen N molecular crystals with π-π stacking.
Lei Zhao, Zelin Ma, Daoling Peng, Fenglong Gu, Wencai Yi

Phys Chem Chem Phys· June 2025

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Enzyme-Mimic Photoinitiated Flow-Polymerization with High Stereoselectivity under Mild Conditions.
Yuhui Zhang, Shuai Pang, Jiangwei Fu, Xiang Li, Yinting MoZeng, Daoling Peng

J Am Chem Soc· April 2025

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2D Graphene Oxide Membrane Nanoreactors for Rapid Directional Flow Ring-Opening Reactions with Dominant Same-Configuration Products.
Jiangwei Fu, Shuai Pang, Yuhui Zhang, Xiang Li, Bo Song, Daoling Peng

Adv Sci (Weinh)· April 2024

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Efficient Flow Synthesis of Aspirin within 2D Sub-Nanoconfined Laminar Annealed Graphene Oxide Membranes.
Xiang Li, Shuai Pang, Yuhui Zhang, Jiangwei Fu, Guandi He, Daoling Peng

Adv Mater· March 2024

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Crystalline porous organic salts.
Guolong Xing, Daoling Peng, Teng Ben

Chem Soc Rev· February 2024

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Mid-infrared Photons Released by NAD Reduction in the Tricarboxylic Acid Cycle of Myelinated Neuron.
Daoling Peng, Wenpeng Qi, Feng Zhang, Bo Song

Neurosci Bull· July 2023

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High-Performance X-Ray Imaging using Lanthanide Metal-Organic Frameworks.
Xintong Zhang, Haiyi Qiu, Wang Luo, Kaofeng Huang, Ying Chen, Daoling Peng

Adv Sci (Weinh)· May 2023

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AuNP-Modulated qPCR: An Optimized System for Detecting MIR Biophotons Released in DNA Replication.
Yu Yang, Daoling Peng, Zhenglong Gu, Lei Jiang, Bo Song

Chemistry· February 2023

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AuNP-Modulated qPCR: An Optimized System for Detecting MIR Biophotons Released in DNA Replication.
Yu Yang, Daoling Peng, Zhenglong Gu, Lei Jiang, Bo Song

Chemistry· February 2023

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Regularized Localized Molecular Orbitals in a Divide-and-Conquer Approach for Linear Scaling Calculations.
Liang Peng, Daoling Peng, Feng Long Gu, Weitao Yang

J Chem Theory Comput· May 2022

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Theoretical studies on triplet-state driven dissociation of formaldehyde by quasi-classical molecular dynamics simulation on machine-learning potential energy surface.
Shichen Lin, Daoling Peng, Weitao Yang, Feng Long Gu, Zhenggang Lan

J Chem Phys· December 2021

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A Robust PtNi Nanoframe/N-Doped Graphene Aerogel Electrocatalyst with Both High Activity and Stability.
Jing Yang, René Hübner, Jiangwei Zhang, Hao Wan, Yuanyuan Zheng, Daoling Peng

Angew Chem Int Ed Engl· April 2021

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Nanoporous and Highly Thermal Conductive Thin Film of Single-Crystal Covalent Organic Frameworks Ribbons.
Fanglin Tan, Shuo Han, Daoling Peng, Honglei Wang, Jing Yang

J Am Chem Soc· March 2021

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BDF: A relativistic electronic structure program package.
Yong Zhang, Bingbing Suo, Zikuan Wang, Ning Zhang, Zhendong Li, Daoling Peng, Xiaopeng Wang

J Chem Phys· February 2020

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A nonlinear optical switch induced by an external electric field: inorganic alkaline-earth alkalide.
Bo Li, Daoling Peng, Feng Long Gu, Chaoyuan Zhu

RSC Adv· May 2019

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Study on the mechanism of platinum(ii)-catalyzed asymmetric ring-opening addition of oxabicyclic alkenes with arylboronic acids.
Sipeng Lin, Chao Xu, Daoling Peng, Liang Peng, Dingqiao Yang

Phys Chem Chem Phys· May 2018

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Time-Dependent Coupled Perturbed Hartree-Fock and Density-Functional-Theory Approach for Calculating Frequency-Dependent (Hyper)Polarizabilities with Nonorthogonal Localized Molecular Orbitals.
Daoling Peng, Shaopeng Li, Liang Peng, Feng Long Gu, Weitao Yang

J Chem Theory Comput· September 2017

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Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.
Francesco Aquilante, Jochen Autschbach, Rebecca K Carlson, Liviu F Chibotaru, Mickaël G Delcey, Daoling Peng

J Comput Chem· February 2016

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Theoretical study on the mechanism of stereoselective synthesis of oxazolidinones.
Abing Duan, Liang Peng, Daoling Peng, Feng Long Gu

J Org Chem· December 2013

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An efficient implementation of two-component relativistic exact-decoupling methods for large molecules.
Daoling Peng, Nils Middendorf, Florian Weigend, Markus Reiher

J Chem Phys· May 2013

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Two-Component Relativistic Calculations of Electric-Field Gradients Using Exact Decoupling Methods: Spin-orbit and Picture-Change Effects.
Jochen Autschbach, Daoling Peng, Markus Reiher

J Chem Theory Comput· November 2012

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