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Atomic Radii Scale and Related Size Properties from Density Functional Electronegativity Formulation
2003-01-01 M. V., Putz; Russo, Nino; Sicilia, Emilia
Protonation of glycine and alanine: Proton affinities, intrinsic basicities and proton transfer path
1998-01-01 Topol, Ia; Burt, Sk; Russo, Nino; Toscano, Marirosa
A non empirical and an MNDO study of N-Methyl-N'-Nitro-N-Nitrosoguanidine
1986-01-01 Russo, N; Toscano, Marirosa
Theoretical determination of electron affinity and ionization potential of DNA and RNA bases
2000-01-01 Russo, N.; Toscano, Marirosa; Grand, A.
On the Interaction between Manganese Cation (Mn2+) and the Nucleic Acid Bases (T,U,C,A,G) in the Gas Phase
2002-01-01 Russo, Nino; Sicilia, E.; Toscano, Marirosa; Grand, A.
Structure, conformation and electronic properties of apigenin, luteolin and taxifolin antioxidants. A first principle theoretical study
2004-01-01 Leopoldini, M.; I. P., Pitarch; N., Russo; Toscano, Marirosa
Semiempirical Molecular Modeling into Quercetin reactive site: Structural, Conformational and Electronic Features
2000-01-01 Russo, Nino; Toscano, Marirosa; Uccella, N.
Theoretical study of the chemisorption of oxygen on Cu(001)
1992-01-01 Musolino, V; Russo, N; Toscano, Marirosa
Nonempirical cluster model study of the on-top chemisorption of fluorine and chlorine on C(111) surface
1988-01-01 Russo, Nino; Toscano, Marirosa; Amodeo, P; Barone, V.
How Can Uranium Ions (U+, U2+) Activate the O-H Bond of Water in the Gas Phase?
2006-01-01 Russo, Nino; Michelini, M. C.; Sicilia, Emilia
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Opzioni
Scopri
Tipologia
- 1 Contributo su Rivista 555
- 1 Contributo su Rivista::1.1 Arti... 555
Data di pubblicazione
- 2020 - 2024 45
- 2010 - 2019 176
- 2000 - 2009 152
- 1990 - 1999 95
- 1980 - 1989 82
- 1971 - 1979 5
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 27
- 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 527
- ita 8
- fre 2
- ger 2
- rus 1
Accesso al fulltext
- no fulltext 555