Sfoglia per Rivista CHEMICAL PHYSICS LETTERS
Mostrati risultati da 1 a 9 di 9
A consistent description of the iron dimer spectrum with a correlated single-determinant wave function
2009-01-01 Casula, M; Marchi, M; Azadi, S; Sorella, Sandro
Dynamical and thermal properties of Polyethylene by ab-Initio simulation
2000-01-01 Serra, S.; Iarlori, S.; Tosatti, E.; Scandolo, S.; Santoro, Giuseppe E.
Further theoretical insight into the reaction mechanism of the hepatitis C NS3/NS4A serine protease
2015-01-01 Martinez-Gonzalez, J. A.; Rodriguez Garcia, A.; Puyuelo, M. P.; Gonzalez, M.; Martinez, R.
Optical properties of anthocyanins in the gas phase
2015-01-01 Ge, Xiaochuan; Calzolari, Arrigo; Baroni, Stefano
Order-disorder phase boundary between ice VII and VIII obtained by first principles
2010-01-01 Umemoto, K.; Wentzcovitch, R. M.; de Gironcoli, S.; Baroni, S.
Raman cross section for the pentagonal-pinch mode in buckminsterfullerene C-60
1997-01-01 Lorentzen, J. D.; Guha, S.; Menendez, J.; Giannozzi, P.; Baroni, S.
Rydberg series of valence and core excited inert-gas atoms: Effects of electron relaxation
1981-01-01 Baroni, S.; Quattropani, A.; Baldeschi, A.
Self-trapping vs. non-trapping of electrons and holes in organic insulators: polyethylene
2002-01-01 Serra, S.; Iarlori, S.; Tosatti, E.; Scandolo, S.; Righi, M. C.; Santoro, G. E.
Time-dependent density functional theory study of squaraine dye-sensitized solar cells
2009-01-01 Rocca, D.; Gebauer, R.; De Angelis, F.; Nazeeruddin, M. K.; Baroni, S.
Mostrati risultati da 1 a 9 di 9
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