Vol. 1 No. 3 (2013)

Articles

Effects of Different-Type Intermolecular Hydrogen Bonds on the Geometrical and Spectral Properties of 6-Aminocoumarin Clusters in Solution

Dapeng Yang, Yonggang Yang & Yufang Liu
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25738 1892 Pages:205-215
Excited-State Intramolecular Proton Transfer of HDI and HBF: Excited-State Hydrogen-Bonding Dynamics and Electronic Structures

Mingzhen Zhang, Baiping Ren, Yi Wang & Changxin Zhao
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25522 1910 Pages:216-224
Intermolecular Interaction in 2-Aminopyridine: A Density Functional Study

Manoj Majumder, Tamal Goswami, Anirban Misra, Soumik Bardhan & Swapan K. Saha
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25202 1871 Pages:225-234
Polarity Effect of Solvents on Ground- and Excited-State Hydrogen Bonds

Yu-Hui Liu & Sheng-Cheng Lan
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25167 1896 Pages:235-243
Synthesis, Structure Investigation, Spectral Characteristics and Biological Activities of 4-Benzyl-3-(2-Hydroxyphenyl)-1H-1,2,4-Triazole-5(4H)-Thione

Metin Koparir, Cahit Orek, Naci Ömer Alayunt, Akif Evren Parlak, Pelin Koparir, Kamiran Sarac, Sevgi Durna Dastan, Nevin Cankaya
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26041 1929 Pages:244-268
Theoretical Study on a Metal-Organic Framework Based on ${\rm \mu}$4-Oxo Tetrazinc Clusters: The Sorption Mechanism for Small Molecule

Mingxing Zhang, Weihong Mi & Ce Hao
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25311 1832 Pages:269-281
A TD-DFT Study on Fluorescent Chemosensor for Fluoride Anion Based on Dipyrrolyl Derivatives

Cai-Yun Lv, Li-Juan Sun, Bing-Qiang Wang, Cai-Yun Zhang & Jian Zhang
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25484 1836 Pages:282-296
The Study of Singlet Biradical Character of the Benzene-Linked Bisphenalenyl Molecule and the Anthracene-Linked Bisphenalenyl Molecule

Jing Liu, Peng Song, Yong Ding, Shunhuai Yao & Fengcai Ma
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25710 1842 Pages:297-306