Search Result "B3LYP/6-31G"
Substrate Binding and Kinetic Aspects of the Peroxidation Reaction of Four Polyunsaturated Fatty Acids in the COX Active Site of PGHS-1
Journal: Letters in Drug Design & Discovery
Volume: 7 Issue: 2 Year: 2010 Page: 88-97
Author(s): Mark A. Lukowski, Dae Jin Choi, Maria C. Milletti
Regio- and Diastereoselective Nitroso Diels-Alder Cycloaddition Reactions of 3-dienyl-2-azetidinones with Nitrosoarenes
Journal: Letters in Organic Chemistry
Volume: 9 Issue: 6 Year: 2012 Page: 411-421
Author(s): Amit Anand,Gaurav Bhargava,Pardeep Singh,Saloni Mehra,Vipan Kumar,Mohinder P. Mahajan,Parvesh Singh,Krishna Bisetty
A Combined Experimental and Theoretical DFT (B3LYP and CAMB3LYP)Study on Spectral Features (FT-IR, NMR, and UV-Visible),First-order Hyperpolarizability, NBO and HOMO-LUMO Analysis of4-(dimethylamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
Journal: Letters in Organic Chemistry
Volume: 20 Issue: 4 Year: 2023 Page: 312-325
Author(s):
A Computational Study of Euglobal G1 - An Acylphloroglucinol with Anticancer Activity
Journal: Current Bioactive Compounds
Volume: 10 Issue: 3 Year: 2014 Page: 163-180
Author(s): Liliana Mammino
Structural and Vibrational Investigation on a Benzoxazin Derivative with Potential Antibacterial Activity
Ebook: Frontiers in Computational Chemistry
Volume: 2 Year: 2015
Author(s): MarÃa V. Castillo,Elida Romano,Ana B. Raschi,Silvia A. Brandán
Doi: 10.2174/9781608059782115020008
An Improved, Efficient and Microwave Assisted Synthetic Method for the Synthesis of Chalcone Oximes: An Experimental and Computational Study
Journal: Letters in Organic Chemistry
Volume: 15 Issue: 2 Year: 2018 Page: 99-110
Author(s): Taner Erdogan,Fatma Oguz Erdogan
Regio- and Stereoselectivity in the Paterno-Buchi Reaction Between 2,3-Dihydrofuran and Furan with Benzaldehyde
Journal: Letters in Organic Chemistry
Volume: 3 Issue: 3 Year: 2006 Page: 244-246
Author(s): Maurizio DAuria, Lucia Emanuele, Rocco Racioppi
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
Understanding the High Reactivity of the Azomethine Ylides in [3 + 2] Cycloaddition Reactions
Journal: Letters in Organic Chemistry
Volume: 7 Issue: 6 Year: 2010 Page: 432-439
Author(s): Luis R. Domingo, Eduardo Chamorro, Patricia Perez
Theoretical Study and Principal Component Analysis of Focal Adhesion Kinase Inhibitors
Journal: Current Physical Chemistry
Volume: 5 Issue: 4 Year: 2015 Page: 337-346
Author(s):