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Journal of Quantum Chemistry

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主页: http://www.hindawi.com/journals/jqc/

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A Theoretical Study of the Relationships between Electronic Structure and CB1 and CB2 Cannabinoid Receptor Binding Affinity in a Group of 1-Aryl-5-(1-H-pyrrol-1-yl)-1-H-pyrazole-3-carboxamides

Francisco Salgado-Valdés,Juan S. Gómez-Jeria

DFT Study on the Co-Xe Bond in the HCo(CO) Xe Adduct

Tamás Kégl

Anharmonic Spectroscopic Investigation of Tellurophene and Its Perdeuterated Isotopomer: Application of Second-Order Perturbation Theory

Andrea Alparone

Towards Rational Designing of Efficient Sensitizers Based on Thiophene and Infrared Dyes for Dye-Sensitized Solar Cells

Ahmad Irfan,Abdullah G. Al-Sehemi,Shabbir Muhammad

Theoretical Calculations and Modeling for the Molecular Polarization of Furan and Thiophene under the Action of an Electric Field Using Quantum Similarity

Alejandro Morales-Bayuelo,Ricardo Vivas-Reyes

Quantum Chemical Study of Mixed-Ligand Monometallic Ruthenium(II) Complex of Composition [(bpy)2Ru(H3Imbzim)](ClO4)2·2H2O

Mohsin Yousuf Lone,Prakash Chandra Jha

Understanding the Polar Character Trend in a Series of Diels-Alder Reactions Using Molecular Quantum Similarity and Chemical Reactivity Descriptors

Alejandro Morales-Bayuelo,Ricardo Vivas-Reyes

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