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Risultati 1 - 10 di 540 (tempo di esecuzione: 0.13 secondi).
Titolo Data di pubblicazione Autore(i) File
The preferred reaction path for the oxydation of methanol by PQQ-containig methanol dehydrogenase: addition-elimination versus hydride-transfer mechanism 1-gen-2007 Leopoldini, M; Russo, Nino; Toscano, M.
Bisanthracene Bis(dicarboxylic imide)s as Potential Photosensitizers in Photodynamic Therapy: A Theoretical Investigation 1-gen-2013 Alberto, Marta E.; Cristina, Iuga; Quartarolo, Angelo D.; Russo, Nino
Non-empirical cluster-model study of the relaxation of (111) surfaces of C, Si, Ge 1-gen-1990 Russo, N; Toscano, Marirosa; Barone, V; Illas, F; Rubio, J.
On the Nature of the CP Bond in Phosphaalkynes 1-gen-2008 LUCAS M., F; MICHELINI M., C; Russo, Nino; Sicilia, Emilia
A theoretical study on tautomerization process of dehydrated and monohydrated cytosine 1-gen-2007 Russo, Nino; Marino, T; Mazzuca, D; Toscano, Marirosa
Explicit Water Molecules Play aKey Role in the Mechanism of Rhodium-Substituted Human Carbonic Anhydrase 1-gen-2017 Marino, Tiziana; Paolo, Piazzetta; Russo, Nino; Salahub, Dennis R.
The Role of Chelating Phosphine Rhodium Complexes in Dehydrocoupling Reactions of Amine-Boranes: A Theoretical Investigation Attempting To Rationalize the Observed Behaviors 1-gen-2014 Valeria, Butera; Russo, Nino; Sicilia, Emilia
A Time-Dependent Density Functional Study of a Non-Aromatic [1.1.1.1.1]-Pentaphyrin and Its Lutetium Complex 1-gen-2012 Fortes Ramos Sousa, F.; Quartarolo, A.; Sicilia, Emilia; Russo, Nino
Theoretical Study of Silver-Ion-Mediated Base Pairs: The Case of C–Ag–C and C–Ag–A Systems 1-gen-2015 Mariagrazia, Fortino; Marino, Tiziana; Russo, Nino
Can Expanded Bacteriochlorins Act as Photosensitizers in Photodynamic Therapy? Good News from Density Functional Theory Computations 1-gen-2016 Mazzone, Gloria; Alberto, Marta E.; DE SIMONE, Bruna Clara; Marino, Tiziana; Russo, Nino
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Tipologia
  • 1 Contributo su Rivista 540
  • 1 Contributo su Rivista::1.1 Arti... 540
Autore
  • TOSCANO, Marirosa 224
  • SICILIA, Emilia 149
  • MARINO, Tiziana 111
  • MAZZONE, Gloria 54
  • V. Barone 46
Data di pubblicazione
  • 2020 - 2022 29
  • 2010 - 2019 177
  • 2000 - 2009 152
  • 1990 - 1999 95
  • 1980 - 1989 82
Rivista
  • INTERNATIONAL JOURNAL OF QUANTUM ... 32
  • JOURNAL OF MOLECULAR STRUCTURE. T... 30
  • INORGANIC CHEMISTRY 29
  • CHEMICAL PHYSICS LETTERS 26
  • CHEMISTRY-A EUROPEAN JOURNAL 26
Keyword
  • DFT 21
  • Density functional theory 10
  • density functional theory 10
  • Chemistry (all) 8
  • TDDFT 8
Lingua
  • eng 517
  • ita 8
  • fre 2
  • ger 2
  • rus 1
Accesso al fulltext
  • no fulltext 540