E-LIB Suche - Ergebnisse für: Fantucci, P.

1

A 'donor-free' chromophore with a silicon-based acceptor gr..:

Orbelli Biroli, A. ; Tessore, F. ; Di Carlo, G....
Inorganica Chimica Acta. 533 (2022) - p. 120745 , 2022

Link: https://doi.org/10.1016/..

2

DFT investigations of models related to the active site of ..:

BRUSCHI, M ; ZAMPELLA, G ; FANTUCCI, P.
Coordination Chemistry Reviews. 249 (2005) 15-16 - p. 1620-1640 , 2005

Link: https://doi.org/10.1016/..

3

Structural properties and reactivity of bimetallic silver-g..:

Mitric, R. ; B�rgel, C. ; Burda, J...
The European Physical Journal D - Atomic, Molecular and Optical Physics. 24 (2003) 1-3 - p. 41-44 , 2003

Link: https://doi.org/10.1140/..

4

Ab Initio Adiabatic Dynamics Combined with Wigner Distribut..:

Mitrić, R. ; Hartmann, M. ; Stanca, B...
The Journal of Physical Chemistry A. 105 (2001) 39 - p. 8892-8905 , 2001

Link: https://doi.org/10.1021/..

5

Ab initio investigation of the structural and electronic di..:

De Gioia, L. ; Fantucci, P. ; Guigliarelli, B..
International Journal of Quantum Chemistry. 73 (1999) 2 - p. 187-195 , 1999

Link: https://doi.org/10.1002/..

6

Structural and optical properties of small oxygen-doped- an..:

Bonačić-Koutecký, V. ; Boiron, M. ; Pittner, J...
The European Physical Journal D. 9 (1999) 1 - p. 183-187 , 1999

Link: https://doi.org/10.1007/..

7

A molecular dynamics investigation of the resting, hydrogen..:

De Gioia, L ; Fantucci, P
Journal of Molecular Structure: THEOCHEM. 469 (1999) 1-3 - p. 41-53 , 1999

Link: https://doi.org/10.1016/..

8

The electronic structure and magnetic properties of the nic..:

Bienati, M. ; Bonačić-Koutecký, V. ; Fantucci, P.
The European Physical Journal D. 9 (1999) 1 - p. 467-473 , 1999

Link: https://doi.org/10.1007/..

9

Ni−Fe Hydrogenases: A Density Functional Theory Study of A..:

De Gioia, L. ; Fantucci, P. ; Guigliarelli, B..
Inorganic Chemistry. 38 (1999) 11 - p. 2658-2662 , 1999

Link: https://doi.org/10.1021/..

10

A theoretical study of the methyl ligation in tetraaza macr..:

De Gioia, L. ; Fantucci, P.
Inorganica Chimica Acta. 273 (1998) 1-2 - p. 379-387 , 1998

Link: https://doi.org/10.1016/..

11

Ab InitioMO-LCAO Investigation of the Structure and Reactiv..:

Fantucci, P. ; Lolli, S. ; Venturello, C.
Journal of Catalysis. 169 (1997) 1 - p. 228-239 , 1997

Link: https://doi.org/10.1006/..

12

Ab–initio molecular dynamics based on non–local density fun..:

Reichardt, D. ; Bona ) i ' -Koutecký, V. ; Fantucci, P..
Zeitschrift f�r Physik D Atoms, Molecules and Clusters. 40 (1997) 1-4 - p. 486-489 , 1997

Link: https://doi.org/10.1007/..

13

Ab initio molecular dynamics study of solid- to liquidlike ..:

Bonačić-Koutecký, V. ; Jellinek, J. ; Wiechert, M..
The Journal of Chemical Physics. 107 (1997) 16 - p. 6321-6334 , 1997

Link: https://doi.org/10.1063/..

14

Ab initio gradient corrected density functional molecular d..:

Reichardt, D. ; Bonačić-Koutecký, V. ; Fantucci, P..
Chemical Physics Letters. 279 (1997) 3-4 - p. 129-139 , 1997

Link: https://doi.org/10.1016/..

15

Ab initio predictions of structural and optical response pr..:

Bonačić-Koutecký, V. ; Pittner, J. ; Fuchs, C....
The Journal of Chemical Physics. 104 (1996) 4 - p. 1427-1440 , 1996

Link: https://doi.org/10.1063/..