Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
Density functional calculations of magnetic exchange interactions in polynuclear transition metal complexes
1997 Bencini, A; Totti, F; Daul, Ca; Doclo, K; Fantucci, P; Barone, Vincenzo
Density Functional Modeling of Double Exchange Interactions in Transition Metal Complexes. Calculation of the Ground and Excited State Properties of [Fe2(OH)3(tmatcn)2]2+
1998 Barone, Vincenzo; A., Bencini; I., Ciofini; C. A., Daul; F., Totti
Density functional study of oxygen vacancies at the SnO2 surface and subsurface sites
2008 F., Trani; M., Causà; D., Ninno; G., Cantele; Barone, Vincenzo
Density functional theory study of electric and magnetic properties of hexafluorobenzene in the vapor phase
2005 A., Rizzo; Cappelli, Chiara; B., Jansik; D., Jonsson; P., SA LEK; S., Coriani; D. J. D, Wilson; T., Helgaker; H., Agren
Density functional theory study of the interaction of vinyl radical, ethyne, and ethene with benzene, aimed to define an affordable computational level to investigate stability trends in large van der Waals complexes
2013 Andrea, Maranzana; Anna, Giordana; Antonius, Indarto; Glauco, Tonachini; Barone, Vincenzo; Mauro, Causà; Michele, Pavone
Density Functional Theory Study on the Interactions of Metal Ions with Long Chain Deprotonated Carboxylic Acids
2015 Mehandzhiyski, Aleksandar Y; Riccardi, Enrico; Van Erp, Titus S; Koch, Henrik; Åstrand, Per-Olof; Trinh, Thuat T; Grimes, Brian A.
Density-Based Multilevel Hartree-Fock Model
2017 Sæther, Sandra; Kjærgaard, Thomas; Koch, Henrik; Høyvik, Ida-Marie
DENSITY-FUNCTIONAL APPROACH TO THE STRUCTURES AND EPR PARAMETERS OF OPEN-SHELL SYSTEMS - THE CASE OF FLUOROVINYL RADICALS
1993 Barone, Vincenzo; Adamo, C; Russo, N.
DENSITY-FUNCTIONAL CALCULATIONS OF ISOTROPIC HYPERFINE COUPLING-CONSTANTS IN BETA-KETOENOLYL RADICALS
1994 Adamo, C; Barone, Vincenzo; Fortunelli, A.
DENSITY-FUNCTIONAL STUDY OF DIBORANE, DIALANE, AND DIGALLANE
1994 Barone, Vincenzo; Orlandini, L; Adamo, C.
Density-functional study of electric and magnetic properties of hexafluorobenzene in the vapor phase (vol 122, artn no 234314, 2005)
2008 Rizzo, Antonio; Cappelli, Chiara; Jansik, Branislav; Jonsson, Dan; Salek, Pawel; Coriani, Sonia; Agren, Hans; Wilson, David J. D.; Helgaker, Trygve; Junquera-Hernandez, Jose Miguel; Sanchez de Meras, Alfredo M. J.; Sanchez-Marin, Jose
DENSITY-FUNCTIONAL STUDY OF INTRINSIC AND ENVIRONMENTAL-EFFECTS IN THE TAUTOMERIC EQUILIBRIUM OF 2-PYRIDONE
1995 Barone, Vincenzo; Adamo, C.
DENSITY-FUNCTIONAL THEORY - AN EFFECTIVE THEORETICAL TOOL FOR THE STUDY OF SIGMA-RADICALS
1994 Barone, Vincenzo; Adamo, C; Russo, N.
Density-functional-theory study of the electric-field-induced second harmonic generation (EFISHG) of pushpull phenylpolyenes in solution
2006 L., Ferrighi; L., Frediani; Cappelli, Chiara; P., Salek; H., Agren; T., Helgaker; K., Ruud
Deposition of aminomalononitrile-based films: Kinetics, chemistry, and morphology
2019 Toh, R. J.; Evans, R.; Thissen, H.; Voelcker, N. H.; D'Ischia, M.; Ball, V.
Design and development of a cross-platform molecular viewer for Immersive Virtual Reality systems
2017 Salvadori, Andrea
Design, synthesis and characterization of the first water soluble 5,6-dihydroxyindole polymer as a tool to disentangle eumelanin “chromophore”
2009 Pezzella, Alessandro; Iadonisi, Alfonso; S., Valerio; Panzella, Lucia; Napolitano, Alessandra; Adinolfi, Matteo; D'Ischia, Marco
Designing Natural Gesture Interaction for Archaeological Data in Immersive Environments - Diseño de interacción de gestos naturales para datos arqueológicos en entornos de inmersión
2017 Albertini, Niccolò; Brogni, Andrea; Olivito, Riccardo; Taccola, Emanuele; Caramiaux, Baptiste; Gillies, Marco
A detailed comparison of centrifugal sudden and J-shift estimates of the reactive properties of the N + N-2 reaction
2009 Garcia, Ernesto; Sanchez, Carlos; Saracibar, Amaia; Laganà, Antonio; Skouteris, Dimitrios
Determination of the transition dipole moment μi→b(R) in H2 from the measurement of vibrational wave functions
1990 Schins, Juleon M.; Siebbeles, Laurens D. A.; Los, Joop; Kristensen, Martin; Koch, Henrik
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