Liang Peng

发表

Time-Dependent Coupled Perturbed Hartree-Fock and Density-Functional-Theory Approach for Calculating Frequency-Dependent (Hyper)Polarizabilities with Nonorthogonal Localized Molecular Orbitals.

Weitao Yang, Shaopeng Li, F. Gu, 2017, Journal of chemical theory and computation.

Structural distortion, phonon behavior and electronic transition of Aurivillius layered ferroelectric CaBi2Nb2−xWxO9 ceramics

X. Dong, Jinzhong Zhang, J. Chu, 2015 .

Visible-light photocatalytic mechanism of bisphenol-A on nano-Bi2O3: a combined DFT calculation and experimental study

Ruiqin Q. Zhang, Xin Xiao, F. Gu, 2014 .

Study on the mechanism of platinum(ii)-catalyzed asymmetric ring-opening addition of oxabicyclic alkenes with arylboronic acids.

F. Gu, Y. Long, Chao Xu, 2018, Physical chemistry chemical physics : PCCP.

Polymer-capped CdSe/ZnS quantum dots for the sensitive detection of Cu2+ and Hg2+ and the quenching mechanism.

Shihe Luo, F. Gu, Liang Peng, 2021, Analytical methods : advancing methods and applications.

A strategy to design nonlinear optical materials: Self‐assembling by π ‐ π stacking

Feng-Long Gu, Chao Xu, Liang Peng, 2022, Journal of the Chinese Chemical Society.

Enantioselective intramolecular crossed Rauhut-Currier reactions through cooperative nucleophilic activation and hydrogen-bonding catalysis: scope and mechanistic insight.

F. Gu, W. Xiao, Liang‐Qiu Lu, 2011, Chemistry.

SnO2 Based Catalysts with Low‐Temperature Performance for Oxidative Coupling of Methane: Insight into the Promotional Effects of Alkali‐Metal Oxides

Xianglan Xu, Wenming Liu, Xiuzhong Fang, 2018 .

Three dimensional elongation method for large molecular calculations

Y. Aoki, F. Gu, Kai Liu, 2013 .

Theoretical Study on the Static (Hyper)Polarizabilities of α-t-Bu-ω-CN-Poly(methylphenyl)silane

F. Gu, Liang Peng, Jing Li, 2013 .

Theoretical study on the mechanism of stereoselective synthesis of oxazolidinones.

F. Gu, Abing Duan, Daoling Peng, 2013, The Journal of organic chemistry.

Developing reactive catalysts for low temperature oxidative coupling of methane: On the factors deciding the reaction performance of Ln2Ce2O7 with different rare earth A sites

Xianglan Xu, Wenming Liu, Xiuzhong Fang, 2018 .

Theoretical study on catalyzed selective photoreduction mechanism for 4-bromobenzaldehyde in two different solvents.

Ruiqin Q. Zhang, F. Gu, Liang Peng, 2015, Physical chemistry chemical physics : PCCP.

A DFT study on the mechanism of photoselective catalytic reduction of 4-bromobenzaldehyde in different solvents employing an OH-defected TiO2 cluster model.

F. Gu, Liang Peng, Hanlin Gan, 2017, Physical chemistry chemical physics : PCCP.

MnO2 polymorphs for catalytic carboxylation of 1-butanamine by CO2

Zongping Shao, S. Jiang, Yating Yang, 2021 .

Gelification: an effective measure for achieving differently sized biocompatible Fe3O4 nanocrystals through a single preparation recipe.

Mingyuan Gao, F. Gu, Lihong Jing, 2011, Journal of the American Chemical Society.

Ni/Y2B2O7 (B=Ti, Sn, Zr and Ce) catalysts for methane steam reforming: On the effects of B site replacement

Zhixian Gao, Wenming Liu, Wufeng Zhou, 2018 .

Theoretical study on the sequential reduction and oxidation mechanism for tetrabromobisphenol A degradation under photocatalytic UV/Fenton conditions

Shaopeng Li, F. Gu, Liang Peng, 2015, Theoretical Chemistry Accounts.

Crystal structures, in situ synthesis in aqua conditions and luminescent properties of benzimidazole ligands and cadmium coordination complexes

Jian-Zhong Wu, Jun Tang, Yong-Cong Ou, 2015 .

Processes of H 2 adsorption on Fe(1 1 0) surface: A density functional theory study

Jun Liu, F. Gu, W. Xie, 2014 .

Regularized Localized Molecular Orbitals in a Divide-and-Conquer Approach for Linear Scaling Calculations.

Weitao Yang, F. Gu, Daoling Peng, 2022, Journal of chemical theory and computation.

Coupled-Perturbed SCF Approach for Calculating Static Polarizabilities and Hyperpolarizabilities with Nonorthogonal Localized Molecular Orbitals.

Liang Peng, Feng Long Gu, Shaopeng Li, 2015, Journal of chemical theory and computation.

Ln2Zr2O7 compounds (Ln = La, Pr, Sm, Y) with varied rare earth A sites for low temperature oxidative coupling of methane

Xianglan Xu, Luoji Xu, Wenming Liu, 2019, Chinese Chemical Letters.

A Domino Fusion of an Organic ligand Depended on Metal-Induced and Oxygen Insertion, Unraveled by Crystallography, Mass Spectrometry and DFT Calculation.

B. Liu, M. Kurmoo, Ming‐Hua Zeng, 2020, Chemistry.

Observation of varied characteristics of chlorine isotope effects of organochlorines in dechlorination reactions on different types of electron ionization mass spectrometers

Zhiqiang Yu, Caiming Tang, Jianhua Tan, 2020 .

Ratiometric fluorometric detection of Cu2+ through a hybrid nanoprobe composed of N-doped CQDs and l-cysteine-capped CdSe/ZnS QDs

F. Gu, P. Sathishkumar, Liang Peng, 2023, Journal of Luminescence.

The potential energy surfaces of the ground and excited states of carbon dioxide molecule

Liang Peng, Hao Zhang, Ying-ying Ma, 2014, Russian Journal of Physical Chemistry A.

Aromatization of methane by using propane as co-reactant over cobalt and zinc-impregnated HZSM-5 catalysts

Jun Feng Liu, Liang Peng, Yuan Liu, 2008 .

Photocatalytic activity and the radiative lifetimes of excitons via an ab initio approach

Weitao Yang, F. Gu, Chao Xu, 2018 .

Computational design of tetrazolate-based metal-organic frameworks for CH4 storage.

Weiquan Cai, Xuanjun Wu, Liang Peng, 2018, Physical chemistry chemical physics : PCCP.

Temperature-dependent phonon Raman scattering and spectroscopic ellipsometry of pure and Ca-doped SrxBa1−xNb2O6 ferroelectric ceramics across the phase transition region

Genshui Wang, X. Dong, Jinzhong Zhang, 2016 .

High-throughput computational screening of metal-organic frameworks with topological diversity for hexane isomer separations.

Weiquan Cai, Xuanjun Wu, Liang Peng, 2019, Physical chemistry chemical physics : PCCP.

Mechanistic understanding of the Cu(i)-catalyzed domino reaction constructing 1-aryl-1,2,3-triazole from electron-rich aryl bromide, alkyne, and sodium azide: a DFT study

F. Gu, Liang Peng, Hanlin Gan, 2021, Catalysis Science & Technology.

Spectroscopic analysis and in vitro imaging applications of a pH responsive AIE sensor with a two-input inhibit function.

Zhan Zhou, Qianming Wang, F. Gu, 2015, Chemical communications.

Gelification: an effective measure for achieving differently sized biocompatible Fe3O4 nanocrystals through a single preparation recipe.

Mingyuan Gao, F. Gu, Lihong Jing, 2011, Journal of the American Chemical Society.

Enantioselective intramolecular crossed Rauhut-Currier reactions through cooperative nucleophilic activation and hydrogen-bonding catalysis: scope and mechanistic insight.

F. Gu, W. Xiao, Liang‐Qiu Lu, 2011, Chemistry.