Search Result "TDDFT"


Determination of Absolute Configuration of Natural Products: Theoretical Calculation of Electronic Circular Dichroism as a Tool

Journal: Current Organic Chemistry
Volume: 14 Issue: 1 Year: 2010 Page: 1678-1697
Author(s): Xing-Cong Li, Daneel Ferreira, Yuanqing Ding

Stereochemical Assingment of β -lactam Antibiotics and their Analogues by Electronic Circular Dichroism Spectroscopy

Journal: Current Organic Chemistry
Volume: 14 Issue: 1 Year: 2010 Page: 1022-1036
Author(s): Magdalena Woznica, Patrycja Kowalska, Robert Lysek, Marek Masnyk, Marcin Gorecki, Marcin Kwit, Filipp Furche, Jadwiga Frelek

From Relative to Absolute Configuration of Complex Natural Products: Interplay Between NMR, ECD, VCD, and ORD Assisted by ab initio Calculations

Journal: Current Organic Chemistry
Volume: 14 Issue: 1 Year: 2010 Page: 1612-1628
Author(s): Ana G. Petrovic, Armando Navarro-Vazquez, Jose Lorenzo Alonso-Gomez

Characterization and Formation Process of Highly Crystallized Single Crystalline TiO2 Nanorods for Dye-Sensitized Solar Cells

Journal: Current Nanoscience
Volume: 6 Issue: 3 Year: 2010 Page: 269-276
Author(s): Takehiro Kurata, Yasushige Mori, Seiji Isoda, Jinting Jiu, Katsumi Tsuchiya, Fumio Uchida, Motonari Adachi

Gold based Nanoparticles Generated by Radiolytic and Photolytic Methods

Journal: Recent Patents on Engineering
Volume: 4 Issue: 3 Year: 2010 Page: 170-188
Author(s): W. Abidi, H. Remita

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