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Synthesis of 3D Large-Pore Germanosilicate Zeolites Using Imidazolium-Based Long Dications 期刊论文
CHEMISTRY OF MATERIALS, 2019, 卷号: 31, 期号: 15, 页码: 5484-5493
Authors:  Lu, Peng;  Mayoral, Alvaro;  Gomez-Hortiguela, Luis;  Zhang, Yaping;  Camblor, Miguel A.
Favorite  |  View/Download:8/0  |  Submit date:2019/12/02
Theoretical Investigations of Rate Coefficients of H + H2O2 -> OH + H2O on a Full-Dimensional Potential Energy Surface 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 18, 页码: 3969-3976
Authors:  Lu, Xiaoxiao;  Wang, Xingan;  Fu, Bina;  Zhang, Donghui
Favorite  |  View/Download:16/0  |  Submit date:2019/06/25
Synthesis of Pure Silica MWW Zeolite in Fluoride Medium by Using an Imidazolium-Based Long Dication 期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2019, 卷号: 25, 期号: 6, 页码: 1561-1572
Authors:  Lu, Peng;  Gomez-Hortiguela, Luis;  Camblor, Miguel A.
Favorite  |  View/Download:19/0  |  Submit date:2019/06/20
density functional calculations  fluoride media  molecular mechanics  structure directing agent  zeolites  
Higher Accuracy Achieved in the Simulations of Protein Structure Refinement, Protein Folding, and Intrinsically Disordered Proteins Using Polarizable Force Fields 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2018, 卷号: 9, 期号: 24, 页码: 7110-7116
Authors:  Wang, Anhui;  Zhang, Zhichao;  Li, Guohui
Favorite  |  View/Download:11/0  |  Submit date:2019/06/20
Computing energy levels of CH4, CHD3, CH3D, and CH3F with a direct product basis and coordinates based on the methyl subsystem 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 148, 期号: 7
Authors:  Zhao, Zhiqiang;  Chen, Jun;  Zhang, Zhaojun;  Zhang, Dong H.;  Wang, Xiao-Gang;  Carrington, Tucker, Jr.;  Gatti, Fabien
Favorite  |  View/Download:13/0  |  Submit date:2019/06/20
Combination Rules for Morse-Based van der Waals Force Fields 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 6, 页码: 1672-1677
Authors:  Yang, Li;  Sun, Lei;  Deng, Wei-Qiao
Favorite  |  View/Download:10/0  |  Submit date:2019/06/20
Synthesis of STW zeolites using imidazolium-based dications of varying length 期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2018, 卷号: 6, 期号: 4, 页码: 1485-1495
Authors:  Lu, Peng;  Gomez-Hortiguela, Luis;  Xu, Lei;  Camblor, Miguel A.
Favorite  |  View/Download:13/0  |  Submit date:2019/06/20
Fukui Function and Local Softness Related to the Regioselectivity of Electrophilic Addition Reactions 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2018, 卷号: 34, 期号: 5, 页码: 519-527
Authors:  Zhu Zunwei;  Yang Qiaofeng;  Xu Zhenzhen;  Zhao Dongxia;  Fan Hongjun;  Yang Zhongzhi
Favorite  |  View/Download:7/0  |  Submit date:2019/06/20
Fukui Function  Local Softness  Local Hard-soft And Acids-bases (Hsab) Principle  Electrophilic Addition Reactions  Finite Difference Approximation  Abeem Sigma Pi Model  
Interfacial Clustering-Triggered Fluorescence-Phosphorescence Dual Solvoluminescence of Metal Nanoclusters 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2017, 卷号: 8, 期号: 17, 页码: 3980-3985
Authors:  Yang, Taiqun;  Dai, Shan;  Yang, Songqiu;  Chen, Li;  Liu, Pengcheng;  Dong, Kailong;  Zhou, Jiasheng;  Chen, Yuting;  Pan, Haifeng;  Zhang, Sanjun;  Chen, Jinquan;  Zhang, Kun;  Wu, Peng;  Xu, Jianhua
Favorite  |  View/Download:52/0  |  Submit date:2017/12/20
Interfacial Clustering-Triggered Fluorescence-Phosphorescence Dual Solvoluminescence of Metal Nanoclusters 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2017, 卷号: 8, 期号: 17, 页码: 3980-3985
Authors:  Yang, Taiqun;  Dai, Shan;  Yang, Songqiu;  Chen, Li;  Liu, Pengcheng;  Dong, Kailong;  Zhou, Jiasheng;  Chen, Yuting;  Pan, Haifeng;  Zhang, Sanjun;  Chen, Jinquan;  Zhang, Kun;  Wu, Peng;  Xu, Jianhua
Favorite  |  View/Download:42/0  |  Submit date:2017/12/20