Journal Article
Effects of Different-Type Intermolecular Hydrogen Bonds on the Geometrical and Spectral Properties of 6-Aminocoumarin Clusters in Solution
Communications in Computational Chemistry, Vol. 1 (2013), Iss. 3 : pp. 205–215
Journal Article
Excited-State Intramolecular Proton Transfer of HDI and HBF: Excited-State Hydrogen-Bonding Dynamics and Electronic Structures
Communications in Computational Chemistry, Vol. 1 (2013), Iss. 3 : pp. 216–224
Journal Article
Intermolecular Interaction in 2-Aminopyridine: A Density Functional Study
Communications in Computational Chemistry, Vol. 1 (2013), Iss. 3 : pp. 225–234
Journal Article
Polarity Effect of Solvents on Ground- and Excited-State Hydrogen Bonds
Communications in Computational Chemistry, Vol. 1 (2013), Iss. 3 : pp. 235–243
Journal Article
Synthesis, Structure Investigation, Spectral Characteristics and Biological Activities of 4-Benzyl-3-(2-Hydroxyphenyl)-1H-1,2,4-Triazole-5(4H)-Thione
Communications in Computational Chemistry, Vol. 1 (2013), Iss. 3 : pp. 244–268
Journal Article
Theoretical Study on a Metal-Organic Framework Based on ${\rm \mu}$4-Oxo Tetrazinc Clusters: The Sorption Mechanism for Small Molecule
Communications in Computational Chemistry, Vol. 1 (2013), Iss. 3 : pp. 269–281
Journal Article
A TD-DFT Study on Fluorescent Chemosensor for Fluoride Anion Based on Dipyrrolyl Derivatives
Communications in Computational Chemistry, Vol. 1 (2013), Iss. 3 : pp. 282–296
Journal Article
The Study of Singlet Biradical Character of the Benzene-Linked Bisphenalenyl Molecule and the Anthracene-Linked Bisphenalenyl Molecule
Communications in Computational Chemistry, Vol. 1 (2013), Iss. 3 : pp. 297–306