화학공학소재연구정보센터
검색결과 : 19건
No. Article
1 Experimental and Theoretical Photoemission Study of Indole and Its Derivatives in the Gas Phase
Plekan O, Sa'adeh H, Ciavardini A, Callegari C, Cautero G, Dri C, Di Fraia M, Prince KC, Richter R, Sergo R, Stebel L, Devetta M, Facciala D, Vozzi C, Avaldi L, Bolognesi P, Castrovilli MC, Catone D, Coreno M, Zuccaro F, Bernes E, Fronzoni G, Toffoli D, Ponzi A
Journal of Physical Chemistry A, 124(20), 4115, 2020
2 Electronic Structure Characterization of a Thiophene Benzo-Annulated Series of Common Building Blocks for Donor and Acceptor Compounds Studied by Gas Phase Photoelectron and Photoabsorption Synchrotron Spectroscopies
Toffoli D, Guarnaccio A, Grazioli C, Zhang T, Johansson F, de Simone M, Coreno M, Santagata A, D'Auria M, Puglia C, Bernes E, Stener M, Fronzoni G
Journal of Physical Chemistry A, 122(44), 8745, 2018
3 Fe L-Edge X-ray Absorption Spectra of Fe(II) Polypyridyl Spin Crossover Complexes from Time-Dependent Density Functional Theory
Hua WJ, Tian GJ, Fronzoni G, Li X, Stener M, Luo Y
Journal of Physical Chemistry A, 117(51), 14075, 2013
4 Theoretical Study of Near-Edge X-ray Absorption Fine Structure Spectra of Metal Phthalocyanines at C and N K-Edges
De Francesco R, Stener M, Fronzoni G
Journal of Physical Chemistry A, 116(11), 2885, 2012
5 Computational characterization of the HOMO-2 photoemission intensity oscillations in C-60
Toffoli D, Stener M, Fronzoni G, Decleva P
Chemical Physics Letters, 516(4-6), 154, 2011
6 X-ray Absorption Spectroscopy of VOCl3, CrO2Cl2, and MnO3Cl: An Experimental and Theoretical Study
Fronzoni G, Stener M, Decleva P, de Simone M, Coreno M, Franceschi P, Furlani C, Prince KC
Journal of Physical Chemistry A, 113(12), 2914, 2009
7 Theoretical study on the photoabsorption of MAu12- (M = V, Nb and Ta)
Stener M, Nardelli A, Fronzoni G
Chemical Physics Letters, 462(4-6), 358, 2008
8 X-ray absorption spectroscopy of titanium oxide by time dependent density functional calculations
Fronzoni G, Francesco R, Stener M, Causa M
Journal of Physical Chemistry B, 110(20), 9899, 2006
9 Spin-orbit relativistic time dependent density functional theory calculations for the description of core electron excitations: TiCl4 case study
Fronzoni G, Stener M, Decleva P, Wang F, Ziegler T, van Lenthe E, Baerends EJ
Chemical Physics Letters, 416(1-3), 56, 2005
10 Time dependent density functional theory of X-ray absorption spectroscopy of alkaline-earth oxides
Fronzoni G, De Francesco R, Stener M
Journal of Physical Chemistry B, 109(20), 10332, 2005