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Results:
1-10
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Results: 10
Authors:
Sergi, A
Gruning, M
Ferrario, M
Buda, F
Citation: A. Sergi et al., Density Functional study of the photoactive yellow protein's chromophore, J PHYS CH B, 105(19), 2001, pp. 4386-4391
Authors:
Ensing, B
Buda, F
Blochl, P
Baerends, EJ
Citation: B. Ensing et al., Chemical involvement of solvent water molecules in elementary steps of thefenton oxidation reaction, ANGEW CHEM, 40(15), 2001, pp. 2893-2895
Authors:
Buda, F
Ensing, B
Gribnau, MCM
Baerends, EJ
Citation: F. Buda et al., DFT study of the active intermediate in the Fenton reaction, CHEM-EUR J, 7(13), 2001, pp. 2775-2783
Authors:
Bonapasta, AA
Buda, F
Colombet, P
Citation: Aa. Bonapasta et al., Interaction between Ca ions and poly(acrylic acid) chains in macro-defect-free cements: A theoretical study, CHEM MATER, 13(1), 2001, pp. 64-70
Authors:
Buda, F
Giannozzi, P
Mauri, F
Citation: F. Buda et al., Density functional theory study of the structure and C-13 chemical shifts of retinylidene iminium salts, J PHYS CH B, 104(38), 2000, pp. 9048-9053
Authors:
Meier, RJ
Aagaard, OM
Buda, F
Citation: Rj. Meier et al., First principles molecular dynamics applied to homogeneous catalysis: on ethylene insertion mechanisms and metathesis, J MOL CAT A, 160(1), 2000, pp. 189-197
Authors:
Bonapasta, AA
Buda, F
Colombet, P
Citation: Aa. Bonapasta et al., Cross-linking of poly(vinyl alcohol) chains by Al ions in macro-defect-free cements: A theoretical study, CHEM MATER, 12(3), 2000, pp. 738-743
Authors:
Tozzini, V
Buda, F
Fasolino, A
Citation: V. Tozzini et al., Spontaneous formation and stability of small GaP fullerenes, PHYS REV L, 85(21), 2000, pp. 4554-4557
Authors:
Sergi, A
Ferrario, M
Buda, F
McDonald, IR
Citation: A. Sergi et al., Structure of phosphorus-selenium glasses: results from ab initio moleculardynamics simulations, MOLEC PHYS, 98(11), 2000, pp. 701-707
Authors:
Buda, F
Fasolino, A
Citation: F. Buda et A. Fasolino, Strained semiconductor clusters in sodalite, PHYS REV B, 60(8), 1999, pp. 6131-6136
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1-10
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