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Transition state structures and reaction profiles from constrained optimization procedure. Implementation in the framework of Density Functional Theory
1994-01-01 Y., Abaskine; Russo, Nino
Transition states and energy barriers from density functional studies. Representative isomerization reactions
1994-01-01 Abashkin, Y; Russo, N; Toscano, Marirosa
Transition States and Energy Barriers from Density Funtional Studies. Representative isomerization reactions
1994-01-01 Abashkin, Y.; Russo, Nino; Toscano, M.
Transition states localization by a densisty functional method. Applications to isomerization and symmetry-forbidden reactions
1995-01-01 Abashkin, Y; Russo, N; Toscano, Marirosa
Transition states localization by density functional method. Application to isomerization and symmetry-forbidden reactions
1995-01-01 Abashkin, Y.; Russo, Nino; Toscano, M.
Tri-Esterase and Promiscuous Di-Esterase Activities of a di-Co(II)containing Organo-Phosphate Degrading Enzyme Reaction Mechanisms
2015-01-01 Alberto, Me; Pinto, G; Russo, Nino; Toscano, Marirosa
Trimethylphosphate and Dimethylphosphate Hydrolysis by Binuclear CdII, MnII, and ZnII–FeII Promiscuous Organophosphate-Degrading Enzyme: Reaction Mechanisms
2017-01-01 Pinto, G.; Mazzone, G.; Russo, N.; Toscano, M.
Two state reactivity paradigm in catalysis. The example of X-H (X=O, C, N) and C-C bonds activation mediated by transition metal compounds
2008-01-01 Michelini, M. C.; Rivalta, I; Russo, Nino; Sicilia, E.
Two-state reactivity paradigm in transition metal mediated reactions
2004-01-01 Rivalta, I.; N., Russo; Sicilia, Emilia
Understanding Zn(II) Chelation with Quercetin and Luteolin: a Combined NMR and Theoretical Study
2015-01-01 Alexandra, Primikyri; Mazzone, Gloria; Christina, Lekka; Andreas, Tzakos; Russo, Nino; Gerothanassis, Ioannis P.
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Opzioni
Scopri
Tipologia
- 1 Contributo su Rivista 557
- 1 Contributo su Rivista::1.1 Arti... 557
- 2 Contributo in Volume 46
- 2 Contributo in Volume::2.1 Contr... 45
- 7 Curatele 6
- 7 Curatele::7.1 Curatela 6
- 4 Contributo in Atti di Convegno ... 5
- 4 Contributo in Atti di Convegno ... 3
- 4 Contributo in Atti di Convegno ... 2
- 2 Contributo in Volume::2.4 Voce ... 1
Data di pubblicazione
- 2020 - 2024 47
- 2010 - 2019 187
- 2000 - 2009 165
- 1990 - 1999 123
- 1980 - 1989 87
- 1971 - 1979 5
Editore
- Kluwer Academic Publishers 7
- Springer 6
- World Scientific 3
- ECIG 2
- Kluwer 2
- MORTERRA C, ZECCHINA A, COSTA G, ... 2
- RUSSO N, SALAHUB DR, KLUWER 2
- ANASTASSOPOULOU I, BARONE V, RUSS... 1
- CAPRIOLI RM, MALORNI A, SINDONA G... 1
- CHONG DP- WORLD SCIENTIFIC 1
Rivista
- INTERNATIONAL JOURNAL OF QUANTUM ... 32
- JOURNAL OF MOLECULAR STRUCTURE. T... 30
- INORGANIC CHEMISTRY 29
- CHEMICAL PHYSICS LETTERS 26
- JOURNAL OF COMPUTATIONAL CHEMISTRY 26
- CHEMISTRY-A EUROPEAN JOURNAL 25
- JOURNAL OF PHYSICAL CHEMISTRY. A,... 25
- PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22
- JOURNAL OF PHYSICAL CHEMISTRY. B,... 21
- JOURNAL OF CHEMICAL THEORY AND CO... 20
Keyword
- DFT 29
- TDDFT 12
- Density functional theory 10
- density functional theory 10
- Chemistry (all) 8
- Humans 7
- PDT 6
- Physical and Theoretical Chemistry 6
- Thermodynamics 5
- Antineoplastic Agents 4
Lingua
- eng 571
- ita 16
- fre 2
- ger 2
- rus 1
Accesso al fulltext
- no fulltext 614