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Electronic structure of terpenoids.
Spectroscopic and theoretical study of the electronic structure of curcumin and related fragment molecules.
- V. Galasso, B. Kovač, A. Modelli, M. F. Ottaviani, F. Pichierri
- Chemistry, Medicine
- The journal of physical chemistry. A
- 16 February 2008
The low volatility and thermal instability made the photoelectron (PE), electron transmission (ET), and dissociative electron attachment (DEA) spectroscopy measurements on curcumin (a potent chemopreventive agent) unsuccessful, and a reliable pattern of the vertical ionization energies and electron attachment energies ofCurcumin was proposed. Expand
Photoelectron spectra, electronic structure and long-range electronic interaction in some steroids
Alicyclic molecular frameworks are useful for the study of electronic through-bond (TB) and through space (TS) interactions of functional groups over fixed distances and/or a specified number of C-C… Expand
A theoretical and experimental study on the molecular and electronic structures of artemisinin and related drug molecules
Abstract The equilibrium structures of artemisinin and a selection of its derivatives (potent antimalarial drugs) have been studied with the density functional theory ansatz B3LYP. Of the five rings… Expand
Structure and stability of common sesquiterpenes.
- I. Novák, B. Kovač, G. Kovačević
- Chemistry, Medicine
- Spectrochimica acta. Part A, Molecular and…
- 1 August 2002
Data is presented on the electronic structure, polarity and relative stability of 14 common sesquiterpenes by a combination of spectroscopic and high-level theoretical analysis. Expand
Photoelectron spectra of important drug molecules: zidovudine and artemisinine.
The electronic structures of the anti-HIV drug zidovudine (AZT) and antimalarial drug artemisinine have been investigated by UV photoelectron spectroscopy (UPS), MO calculations, and comparison with… Expand
Photoelectron spectroscopy of biologically active molecules. 20. Para‐quinones, semiquinones, and aromatic ketones
We have recorded and analyzed the HeI PE spectra of the following molecules: 9,10-dihydroanthracene (1); 9,10(H)-anthracenone (2); 9,10-anthracenedione (3); 1,2,3,4-tetrahydro-9,10-anthracenedione… Expand
He I photoelectron spectra of some camphor derivatives
Abstract He I photoelectron spectra of several camphor derivatives have been measured and assigned.
Photoelectron spectroscopy of trisubstituted benzenes: Dichloroiodobenzenes
Abstract The electronic structure of isomeric dichloroiodobenzenes (C 6 H 3 ICl 2 ) has been investigated by HeI/HeII photoelectron spectroscopy. The spectra were assigned by Green’s functions… Expand
On the molecular and electronic structure of matrine-type alkaloids
Abstract A systematic study of the molecular and electronic structure of the eight possible members in the trans -matrine series and of two dehydro-derivatives, sophocarpine and sophoramine, has been… Expand