NATO Advanced Study Institute on Metal-Ligand Interactions : Structure and Reactivity

por Russo, Nino, Salahub, Dennis
Publicado 1996

NATO Advanced Study Institute on Metal-Ligand Interactions in Chemistry, Physics and Biology

por Russo, Nino, Salahub, Dennis
Publicado 2000

Proceedings of the NATO Advanced Study Institute on Metal-Ligand Interactions : From Atoms, to Clusters, to Surfaces

por Salahub, Dennis, Russo, Nino
Publicado 1992

The challenge of d and F electrons

por Salahub, Dennis R, Zerner, Michael C
Publicado 1989

Radical pairs may play a role in xenon-induced general anesthesia

por Smith, Jordan, Zadeh Haghighi, Hadi, Salahub, Dennis, Simon, Christoph
Publicado 2021

Radical pairs may explain reactive oxygen species-mediated effects of hypomagnetic field on neurogenesis

por Rishabh, Rishabh, Zadeh-Haghighi, Hadi, Salahub, Dennis, Simon, Christoph
Publicado 2022

Theoretical Investigation of 6-Mercaptopurine Isomers’ Adsorption on the Au(001) Surface: Revealing the Fate of Different Isomers

por Ren, Hongjiang, Cao, Xinwei, Zhang, Yahuang, Chehelamirani, Morteza, Salahub, Dennis R.
Publicado 2019

Hexatetra-Carbon: A Novel Two-Dimensional Semiconductor Allotrope of Carbon

por Naseri, Mosayeb, Jalilian, Jaafar, Salahub, Dennis R., Lourenço, Maicon Pierre, Rezaei, Ghasem
Publicado 2022

Representation of Ion–Protein Interactions Using the Drude Polarizable Force-Field

por Li, Hui, Ngo, Van, Da Silva, Mauricio Chagas, Salahub, Dennis R., Callahan, Karen, Roux, Benoît, Noskov, Sergei Yu.
Publicado 2015

Quantum Effects in Cation Interactions with First and Second Coordination Shell Ligands in Metalloproteins

por Ngo, Van, da Silva, Mauricio C., Kubillus, Maximilian, Li, Hui, Roux, Benoît, Elstner, Marcus, Cui, Qiang, Salahub, Dennis R., Noskov, Sergei Yu.
Publicado 2015

QM/MM Calculations with deMon2k

por Salahub, Dennis R., Noskov, Sergei Yu., Lev, Bogdan, Zhang, Rui, Ngo, Van, Goursot, Annick, Calaminici, Patrizia, Köster, Andreas M., Alvarez-Ibarra, Aurelio, Mejía-Rodríguez, Daniel, Řezáč, Jan, Cailliez, Fabien, de la Lande, Aurélien
Publicado 2015

Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review †

por de la Lande, Aurélien, Alvarez-Ibarra, Aurelio, Hasnaoui, Karim, Cailliez, Fabien, Wu, Xiaojing, Mineva, Tzonka, Cuny, Jérôme, Calaminici, Patrizia, López-Sosa, Luis, Geudtner, Gerald, Navizet, Isabelle, Garcia Iriepa, Cristina, Salahub, Dennis R., Köster, Andreas M.
Publicado 2019

DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science

por Teale, Andrew M., Helgaker, Trygve, Savin, Andreas, Adamo, Carlo, Aradi, Bálint, Arbuznikov, Alexei V., Ayers, Paul W., Baerends, Evert Jan, Barone, Vincenzo, Calaminici, Patrizia, Cancès, Eric, Carter, Emily A., Chattaraj, Pratim Kumar, Chermette, Henry, Ciofini, Ilaria, Crawford, T. Daniel, De Proft, Frank, Dobson, John F., Draxl, Claudia, Frauenheim, Thomas, Fromager, Emmanuel, Fuentealba, Patricio, Gagliardi, Laura, Galli, Giulia, Gao, Jiali, Geerlings, Paul, Gidopoulos, Nikitas, Gill, Peter M. W., Gori-Giorgi, Paola, Görling, Andreas, Gould, Tim, Grimme, Stefan, Gritsenko, Oleg, Jensen, Hans Jørgen Aagaard, Johnson, Erin R., Jones, Robert O., Kaupp, Martin, Köster, Andreas M., Kronik, Leeor, Krylov, Anna I., Kvaal, Simen, Laestadius, Andre, Levy, Mel, Lewin, Mathieu, Liu, Shubin, Loos, Pierre-François, Maitra, Neepa T., Neese, Frank, Perdew, John P., Pernal, Katarzyna, Pernot, Pascal, Piecuch, Piotr, Rebolini, Elisa, Reining, Lucia, Romaniello, Pina, Ruzsinszky, Adrienn, Salahub, Dennis R., Scheffler, Matthias, Schwerdtfeger, Peter, Staroverov, Viktor N., Sun, Jianwei, Tellgren, Erik, Tozer, David J., Trickey, Samuel B., Ullrich, Carsten A., Vela, Alberto, Vignale, Giovanni, Wesolowski, Tomasz A., Xu, Xin, Yang, Weitao
Publicado 2022