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Vol. 1 No. 3 (2013)
Vol. 1 No. 3 (2013)
Published:
2013-01-01
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
205-215
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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
216-224
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Intermolecular Interaction in 2-Aminopyridine: A Density Functional Study
Manoj Majumder, Tamal Goswami, Anirban Misra, Soumik Bardhan & Swapan K. Saha
225-234
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Polarity Effect of Solvents on Ground- and Excited-State Hydrogen Bonds
Yu-Hui Liu & Sheng-Cheng Lan
235-243
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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 Ă–mer Alayunt, Akif Evren Parlak, Pelin Koparir, Kamiran Sarac, Sevgi Durna Dastan, Nevin Cankaya
244-268
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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
269-281
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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
282-296
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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
297-306
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