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A DFT Explanation of the Reactivity and Regioselectivity of the Diels- Alder Reactions Between 2,3,4,4a-Tetrahydroquinoline and some Electron-Deficient Dienophiles

Journal: Letters in Organic Chemistry
Volume: 8 Issue: 2 Year: 2011 Page: 119-124
Author(s): Rachid Jalal, M. Jose Aurell, Mhamed Esseffar

Progression of Absolute Configuration Determination in Natural Product Chemistry Using Optical Rotation (Dispersion), Matrix Determinant and Electronic Circular Dichroism Methods

Journal: Current Organic Chemistry
Volume: 15 Issue: 1 Year: 2011 Page: 1843-1862
Author(s): Sheng-Ding Zhao, Lan Shen, Du-Qiang Luo, Hua-Jie Zhu

Methyl 2-(4-methylphenyl)-2H-azirine-3-carboxylate as Dienophile in Hetero-Diels-Alder Cycloaddition: A DFT Approach

Journal: Letters in Organic Chemistry
Volume: 8 Issue: 2 Year: 2011 Page: 132-137
Author(s): Pratibha Sharma, Ashok Kumar, Vinita Sahu

Selective Cholinesterase Inhibitors from Buxus sempervirens L. and their Molecular Docking Studies

Journal: Current Computer-Aided Drug Design
Volume: 7 Issue: 4 Year: 2011 Page: 276-286
Author(s): Ilkay E. Orhan, Mahmud T.H. Khan, Sinem A. Erdem, Murat Kartal, Bilge Sener

A DFT Study of the Regioselectivity in Intramolecular Diels-Alder Reactions with Formation of a Tricyclodecane Skeleton

Journal: Letters in Organic Chemistry
Volume: 8 Issue: 2 Year: 2011 Page: 125-131
Author(s): Jorge Soto-Delgado, Arie Aizman, Renato Contreras, Luis R. Domingo

Thermochemistry of TM(II) Complexes (TM=Ni, Cu and Zn) and Their Ligands from DFT Calculations

Journal: Current Physical Chemistry
Volume: 1 Issue: 1 Year: 2011 Page: 55-64
Author(s): Jose R.B. Gomes, Manuel A.V. Ribeiro da Silva

Finite-Length Effect of Carbon Nanotubes on the Encapsulation and Decomposition of Nitromethane: ONIOM Calculation

Journal: Current Nanoscience
Volume: 7 Issue: 6 Year: 2011 Page: 1054-1060
Author(s): Luoxin Wang, Hantao Zou, Changhai Yi, Jie Xu, Weilin Xu

A New Series of Organocatalysts for Diels-Alder Cycloaddition Reactions and Theoretical Analysis

Journal: Current Organic Chemistry
Volume: 15 Issue: 1 Year: 2011 Page: 3514-3522
Author(s): Alessandro Casoni, Elena Borsini, Alessandro Contini, Alessandro Ruffoni, Sara Pellegrino, Francesca Clerici

Influence of Polarity on the Scalability and Reproducibility of Solvent-Free Microwave-Assisted Reactions

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 14 Issue: 2 Year: 2011 Page: 109-116
Author(s): Angel Diaz-Ortiz, Antonio de la Hoz, Jesus Alcazar, Jose R. Carrillo, Maria A. Herrero, Alberto Fontana, Juan de M. Munoz, Pilar Prieto, Abel de Cozar

Applications of Density Functional Theory (DFT) to Investigate the Structural, Spectroscopic and Magnetic Properties of Lanthanide(III) Complexes

Journal: Current Inorganic Chemistry
Volume: 1 Issue: 1 Year: 2011 Page: 91-116
Author(s): Carlos Platas-Iglesias, Adrian Roca-Sabio, Martin Regueiro-Figueroa, David Esteban-Gomez, Andres de Blas, Teresa Rodriguez-Blas

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