RDA in Norway

Autor: Segadal, Katrine Utaaker, Kvamme, Trond, Heggland, Ingrid, Fotland, Margaret Louise, Fjellbirkeland, Anne, Conzett, Philipp, Garshol, Jan Erik, Iozzi, Maria Francesca

Externí odkaz: https://hdl.handle.net/10037/16708

Communication: Analytic gradients in the random-phase approximation.

Autor: Rekkedal, Johannes, Coriani, Sonia, Iozzi, Maria Francesca, Teale, Andrew M., Helgaker, Trygve, Pedersen, Thomas Bondo

Publikováno v: Journal of Chemical Physics; Aug2013, Vol. 139 Issue 8, p081101, 4p, 1 Chart, 2 Graphs

A polarizable continuum approach for the study of heterogeneous dielectric environments.

Autor: Iozzi, Maria Francesca, Cossi, Maurizio, Improta, Roberto, Rega, Nadia, Barone, Vincenzo

Publikováno v: Journal of Chemical Physics; 5/14/2006, Vol. 124 Issue 18, p184103, 9p, 3 Diagrams, 4 Charts, 3 Graphs

The Dalton quantum chemistry program system

Autor: Aidas, Kestutis, Angeli, Celestino, Bak, Keld L., Bakken, Vebjørn, Bast, Radovan, Boman, Linus, Christiansen, Ove, Cimiraglia, Renzo, Coriani, Sonia, Dahle, Pal, Dalskov, Erik K., Ekström, Ulf, Enevoldsen, Thomas, Eriksen, Janus J., Ettenhuber, Patrick, Fernández, Berta, Ferrighi, Lara, Fliegl, Heike, Frediani, Luca, Hald, Kasper, Halkier, Asger, Hättig, Christof, Heiberg, Hanne, Helgaker, Trygve, Hennum, Alf Christian, Hettema, Hinne, Hjertenæs, Eirik, Høst, Stinne, Høyvik, Ida-Marie, Iozzi, Maria Francesca, Jansík, Branislav, Jensen, Hans Jørgen Aa., Jonsson, Dan, Jørgensen, Poul, Kauczor, Joanna, Kirpekar, Sheela, Kjærgaard, Thomas, Klopper, Wim, Knecht, Stefan, Kobayashi, Rika, Koch, Henrik, Kongsted, Jacob, Krapp, Andreas, Kristensen, Kasper, Ligabue, Andrea, Lutnæs, Ola B., Melo, Juan I., Mikkelsen, Kurt V., Myhre, Rolf H., Neiss, Christian, Nielsen, Christian B., Norman, Patrick, Olsen, Jeppe, Olsen, Jógvan Magnus H., Osted, Anders, Packer, Martin J., Pawlowski, Filip, Pedersen, Thomas B., Provasi, Patricio F., Reine, Simen, Rinkevicius, Zilvinas, Ruden, Torgeir A., Ruud, Kenneth, Rybkin, Vladimir V., Sałek, Pawel, Samson, Claire C. M., Sanchez de Merás, Alfredo, Saue, Trond, Sauer, Stephan P. A., Schimmelpfennig, Bernd, Sneskov, Kristian, Steindal, Arnfinn H., Sylvester-Hvid, Kristian O., Taylor, Peter R., Teale, Andrew M., Tellgren, Erik I., Tew, David P., Thorvaldsen, Andreas J., Thøgersen, Lea, Vahtras, Olav, Watson, Mark A., Wilson, David J. D., Ziolkowski, Marcin, Ågren, Hans

Publikováno v: Wiley Interdisciplinary Reviews: Computational Molecular Science
Wiley Interdisciplinary Reviews: Computational Molecular Science, Wiley, 2014, 4 (3), pp.269-284. ⟨10.1002/wcms.1172⟩
Wiley Interdisciplinary Reviews. Computational Molecular Science
Aidas, K, Angeli, C, Bak, K L, Bakken, V, Bast, R, Boman, L, Christiansen, O, Cimiraglia, R, Coriani, S, Dahle, P, Dalskov, E K, Ekström, U, Enevoldsen, T, Eriksen, J J, Ettenhuber, P, Fernández, B, Ferrighi, L, Fliegl, H, Frediani, L, Hald, K, Halkier, A, Hättig, C, Heiberg, H, Helgaker, T, Hennum, A C, Hettema, H, Hjertenæs, E, Høst, S, Høyvik, I-M, Iozzi, M F, Jansik, B, Jensen, H J A, Jonsson, D, Jørgensen, P, Kauczor, J, Kirpekar, S, Kjærgaard, T, Klopper, W, Knecht, S, Kobayashi, R, Koch, H, Kongsted, J, Krapp, A, Kristensen, K, Ligabue, A, Lutnæs, O B, Melo, J I, Mikkelsen, K V, Myhre, R H, Neiss, C, Nielsen, C B, Norman, P, Olsen, J, Olsen, J M H, Osted, A, Packer, M J, Pawlowski, F, Pedersen, T B, Provasi, P F, Reine, S, Rinkevicius, Z, Ruden, T A, Ruud, K, Rybkin, V, Salek, P, Samson, C C M, Sánchez de Merás, A, Saue, T, Sauer, S P A, Schimmelpfennig, B, Sneskov, K, Steindal, A H, Sylvester–Hvid, K O, Taylor, P R, Teale, A M, Tellgren, E I, Tew, D P, Thorvaldsen, A J, Thøgersen, L, Vahtras, O, Watson, M A, Wilson, D J D, Ziolkowski, M & Ågren, H 2014, ' The Dalton quantum chemistry program system ', Wiley Interdisciplinary Reviews: Computational Molecular Science, vol. 4, no. 3, pp. 269-284 . https://doi.org/10.1002/wcms.1172
Aidas, K, Angeli, C, Bak, K L, Bakken, V, Bast, R, Boman, L, Christiansen, O, Cimiraglia, R, Coriani, S, Dahle, P, Dalskov, E K, Ekström, U, Enevoldsen, T, Eriksen, J J, Ettenhuber, P, Fernández, B, Ferrighi, L, Fliegl, H, Frediani, L, Hald, K, Halkier, A, Hättig, C, Heiberg, H, Helgaker, T, Christian Hennum, A, Hettema, H, Hjertenæs, E, Høst, S, Høyvik, I-M, Iozzi, M F, Jansík, B, Jensen, H J A, Jonsson, D, Jørgensen, P, Kauczor, J, Kirpekar, S, Kjærgaard, T, Klopper, W, Knecht, S, Kobayashi, R, Koch, H, Kongsted, J, Krapp, A, Kristensen, K, Ligabue, A, Lutnæs, O B, Melo, J I, Mikkelsen, K V, Myhre, R H, Neiss, C, Nielsen, C B, Norman, P, Olsen, J, Olsen, J M H, Osted, A, Packer, M J, Pawlowski, F, Pedersen, T B, Provasi, P F, Reine, S, Rinkevicius, Z, Ruden, T A, Ruud, K, Rybkin, V V, Sałek, P, Samson, C C M, de Merás, A S, Saue, T, Sauer, S P A, Schimmelpfennig, B, Sneskov, K, Steindal, A H, Sylvester-Hvid, K O, Taylor, P R, Teale, A M, Tellgren, E I, Tew, D P, Thorvaldsen, A J, Thøgersen, L, Vahtras, O, Watson, M A, Wilson, D J D, Ziolkowski, M & Ågren, H 2014, ' The Dalton quantum chemistry program system ', Wiley Interdisciplinary Reviews: Computational Molecular Science, vol. 4, no. 3, pp. 269–284 . https://doi.org/10.1002/wcms.1172
Aidas, K, Angeli, C, Bak, K L, Bakken, V, Bast, R, Boman, L, Christiansen, O, Cimiraglia, R, Coriani, S, Dahle, P, Dalskov, E K, Ekström, U, Enevoldsen, T, Eriksen, J J, Ettenhuber, P, Fernández, B, Ferrighi, L, Fliegl, H, Frediani, L, Hald, K, Halkier, A, Hättig, C, Heiberg, H, Helgaker, T, Hennum, A C, Hettema, H, Hjertenæs, E, Høst, S, Høyvik, I-M, Iozzi, M F, Jansík, B, Jensen, H J A, Jonsson, D, Jørgensen, P, Kauczor, J, Kirpekar, S, Kjærgaard, T, Klopper, W, Knecht, S, Kobayashi, R, Koch, H, Kongsted, J, Krapp, A, Kristensen, K, Ligabue, A, Lutnæs, O B, Melo, J I, Mikkelsen, K V, Myhre, R H, Neiss, C, Nielsen, C B, Norman, P, Olsen, J, Olsen, J M H, Osted, A, Packer, M J, Pawlowski, F, Pedersen, T B, Provasi, P F, Reine, S, Rinkevicius, Z, Ruden, T A, Ruud, K, Rybkin, V V, Sałek, P, Samson, C C M, de Merás, A S, Saue, T, Sauer, S P A, Schimmelpfennig, B, Sneskov, K, Steindal, A H, Sylvester-Hvid, K O, Taylor, P R, Teale, A M, Tellgren, E I, Tew, D P, Thorvaldsen, A J, Thøgersen, L, Vahtras, O, Watson, M A, Wilson, D, Ziolkowski, M & Ågren, H 2014, ' The Dalton quantum chemistry program system ', Wiley Interdisciplinary Reviews: Computational Molecular Science, vol. 4, no. 3, pp. 269–284 . https://doi.org/10.1002/wcms.1172

Dalton is a powerful general-purpose program system for the study of molecular electronic structure at the Hartree–Fock, Kohn–Sham, multiconfigurational self-consistent-field, Møller–Plesset, configuration-interaction, and coupled-cluster leve

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid_dedup__::f6b49cfcc8c8d215fdd1ea137b5d3d52
https://hdl.handle.net/11384/69951

Molecular and Electronic Properties Transferred to Silicon via Wet-Chemistry Surface Nanofunctionalization: Ethynylferrocene on Si(100)

Autor: Iozzi Maria Francesca, Marrani Andrea Giacomo, Decker Franco, Zanoni Robertino, Cattaruzza Fabrizio, Cossi Maurizio

Publikováno v: Journal of Nanoscience and Nanotechnology. 10:2901-2907

In the frame of our research activity on covalent anchoring of functional molecules on Si oriented surfaces, we report here on the hybrid species resulting from the reaction of ethynylferrocene with H-Si(100) either in a single, direct step, or after

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d758b1a4816057e6a6cc483a71205120
https://doi.org/10.1166/jnn.2010.1409