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Acetylene Cyclotrimerization by Early Second-Row Transition Metals in the Gas Phase. A Theoretical Study
2005-01-01 M., Martinez; M. C., Michelini; I., Rivalta; Russo, Nino; Sicilia, Emilia
Spectroscopic and electronic structure of CuIn, AgIn, CuGa and AgGa diatomics
1990-01-01 Oranges, T; Musolino, V; Toscano, Marirosa; Russo, N.
First principle time dependent study of magnesium containing porphyrin-like compounds potentially useful for their application in photodynamic therapy
2008-01-01 Ida, Lanzo; Russo, Nino; Sicilia, Emilia
A theoretical study of relaxation and reconstruction of the (111) surface of diamond
1985-01-01 Barone, V; Lelj, F; Russo, N; Toscano, Marirosa; Illas, F; Rubio, J.
Adsorption of tin on the (111) and (100) silicon and germanium surfaces: A theoretical study
1990-01-01 Russo, N; Toscano, Marirosa
Electronic structure and photoelectron spectra for Sb2 and Sb4 from local spin density calculations. Model potential for Sb
1990-01-01 Musolino, V; Russo, N; Toscano, Marirosa
Activation of methane by the iron dimer cation. A theoretical study
2006-01-01 Sicilia, Emilia; Sandro, Chiodo; Ivan, Rivalta; MARIA C., Michelini; Nino, Russo; JESUS M., Ugalde
Gas and liquid phase acidity of natural antioxidants
2006-01-01 Leopoldini, M; Russo, Nino; Toscano, Marirosa
Lithium affinity for DNA and RNA nucleobases. The role of the theoretical information in the elucidation of the mass spectrometry data
2001-01-01 Russo, N; Toscano, Marirosa; Grand, A.
OsB2 and RuB2, ultra-incompressible, hard materials: First-principles electronic structure calculations
2006-01-01 S., Chiodo; H. J., Gotsis; Russo, Nino; Sicilia, Emilia
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Opzioni
Scopri
Tipologia
- 1 Contributo su Rivista 554
- 1 Contributo su Rivista::1.1 Arti... 554
Data di pubblicazione
- 2020 - 2024 45
- 2010 - 2019 176
- 2000 - 2009 151
- 1990 - 1999 95
- 1980 - 1989 82
- 1971 - 1979 5
Rivista
- INTERNATIONAL JOURNAL OF QUANTUM ... 32
- INORGANIC CHEMISTRY 29
- JOURNAL OF MOLECULAR STRUCTURE. T... 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 526
- ita 8
- fre 2
- ger 2
- rus 1
Accesso al fulltext
- no fulltext 554