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Structures, energetics, and infrared spectra of the cationic monomethylamine clusters 期刊论文
CHEMICAL PHYSICS, 2019, 卷号: 523, 页码: 7-11
Authors:  Jiang, Shuai;  Zhang, Xiaoli;  Zheng, Xiucheng;  Kong, Xiangtao
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Monomethylamine  Structure  Energetics  Infrared photodissociation  Spectroscopy  Quantum chemical calculation  
Dynamic Excited-State Intramolecular Proton Transfer Mechanisms of Two Novel 3-Hydroxyflavone-Based Chromophores in Two Different Surroundings 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 18, 页码: 3937-3948
Authors:  Hao, Jiaojiao;  Yang, Yang
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Structures and Infrared Spectra of [M(CO2)(7)](+) (M = V, Cr, and Mn) Complexes 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 17, 页码: 3703-3708
Authors:  Yang, Dong;  Kong, Xiangtao;  Zheng, Huijun;  Su, Mingzhi;  Zhao, Zhi;  Xie, Hua;  Fan, Hongjun;  Zhang, Weiqing;  Jiang, Ling
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In Situ Studies on Temperature-Dependent Photocatalytic Reactions of Methanol on TiO2(110) 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 15, 页码: 9993-9999
Authors:  Zhang, Ruidan;  Wang, Haochen;  Peng, Xingxing;  Peng, Ran-ran;  Liu, An-an;  Guo, Qing;  Zhou, Chuanyao;  Ma, Zhibo;  Yang, Xueming;  Jiang, Ying;  Ren, Zefeng
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Theoretical exploration about excited state proton transfer mechanism for a series of phenol-quinoline compounds 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 4, 页码: 371-376
Authors:  Zhang, Tianjie;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Yang, Dapeng
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ESIPT  intramolecular hydrogen bond  IR spectra  MOs  potential energy curves  
Excited state hydrogen bond and proton transfer mechanism for (2-hydroxy-4-methoxyphenyl)(phenyl)-methanone azine: A theoretical investigation 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 210, 页码: 159-164
Authors:  Yang, Dapeng;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli;  Zhang, Tianjie
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Dual intramolecular hydrogen bonds  Steady state spectra  Infrared vibrational spectra  Frontier molecular orbital  Charge density difference  Potential energy surface  
The theoretical study about the ESIPT mechanism for 2,4-bis(benzooxazol-2 '-yl)hydroquinone: Single or double? 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 3, 页码: 8
Authors:  Hao, Jiaojiao;  Yang, Yang
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double  ESIPT mechanism  intramolecular hydrogen bond  single  TDDFT  
Insights into the excited state dynamical process for 3-hydroxy-2-(5-(5-(5-(3-hydroxy-4-oxo-4H-chromen-2-yl)thiophen-2-yl)thiophen-2-yl)thiophen-2-yl)-4H-chromen-4-one 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 3, 页码: 8
Authors:  Wang, Yusheng;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli;  Yang, Dapeng
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charge density difference  charge redistribution  ESIPT  intramolecular hydrogen bond  
Infrared spectra of neutral dimethylamine clusters: An infrared-vacuum ultraviolet spectroscopic and anharmonic vibrational calculation study 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 150, 期号: 6, 页码: 9
Authors:  Zhang, Bingbing;  Huang, Qian-Rui;  Jiang, Shukang;  Chen, Li-Wei;  Hsu, Po-Jen;  Wang, Chong;  Hao, Ce;  Kong, Xiangtao;  Dai, Dongxu;  Yang, Xueming;  Kuo, Jer-Lai;  Jiang, Ling
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The excited state hydrogen bond and proton transfer mechanism of a novel dye CS-Azine 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 2, 页码: 8
Authors:  Jia, Min;  Yang, Guang;  Song, Xiaoyan;  Zhang, Qiaoli;  Yang, Dapeng
Favorite  |  View/Download:1/0  |  Submit date:2019/06/20
charge redistribution  intramolecular hydrogen bond  potential energy curves