1 resultado para the series Leuciscini
em Diposit Digital de la UB - Universidade de Barcelona
Filtro por publicador
- ABACUS. Repositorio de Producción Científica - Universidad Europea (1)
- Abertay Research Collections - Abertay University’s repository (1)
- Aberystwyth University Repository - Reino Unido (2)
- Academic Archive On-line (Karlstad University; Sweden) (1)
- Academic Archive On-line (Stockholm University; Sweden) (3)
- Academic Research Repository at Institute of Developing Economies (1)
- Adam Mickiewicz University Repository (1)
- AMS Tesi di Dottorato - Alm@DL - Università di Bologna (8)
- AMS Tesi di Laurea - Alm@DL - Università di Bologna (1)
- Andina Digital - Repositorio UASB-Digital - Universidade Andina Simón Bolívar (1)
- Aquatic Commons (12)
- ArchiMeD - Elektronische Publikationen der Universität Mainz - Alemanha (14)
- Archimer: Archive de l'Institut francais de recherche pour l'exploitation de la mer (1)
- Archive of European Integration (1)
- Archivo Digital para la Docencia y la Investigación - Repositorio Institucional de la Universidad del País Vasco (4)
- Aston University Research Archive (8)
- Biblioteca de Teses e Dissertações da USP (4)
- Biblioteca Digital | Sistema Integrado de Documentación | UNCuyo - UNCUYO. UNIVERSIDAD NACIONAL DE CUYO. (1)
- Biblioteca Digital da Produção Intelectual da Universidade de São Paulo (3)
- Biblioteca Digital da Produção Intelectual da Universidade de São Paulo (BDPI/USP) (11)
- Biblioteca Digital de Teses e Dissertações Eletrônicas da UERJ (10)
- BORIS: Bern Open Repository and Information System - Berna - Suiça (17)
- Brock University, Canada (12)
- Bucknell University Digital Commons - Pensilvania - USA (3)
- Bulgarian Digital Mathematics Library at IMI-BAS (2)
- CaltechTHESIS (6)
- Cambridge University Engineering Department Publications Database (15)
- CentAUR: Central Archive University of Reading - UK (47)
- Center for Jewish History Digital Collections (1)
- Chinese Academy of Sciences Institutional Repositories Grid Portal (35)
- Cochin University of Science & Technology (CUSAT), India (12)
- Coffee Science - Universidade Federal de Lavras (2)
- Collection Of Biostatistics Research Archive (1)
- Comissão Econômica para a América Latina e o Caribe (CEPAL) (6)
- CORA - Cork Open Research Archive - University College Cork - Ireland (6)
- Cornell: DigitalCommons@ILR (1)
- Dalarna University College Electronic Archive (2)
- Deakin Research Online - Australia (47)
- DI-fusion - The institutional repository of Université Libre de Bruxelles (1)
- Digital Archives@Colby (1)
- Digital Commons - Michigan Tech (1)
- Digital Commons - Montana Tech (4)
- Digital Commons @ DU | University of Denver Research (1)
- Digital Knowledge Repository of Central Drug Research Institute (2)
- Digital Peer Publishing (2)
- DigitalCommons@The Texas Medical Center (4)
- Digitale Sammlungen - Goethe-Universität Frankfurt am Main (1)
- Diposit Digital de la UB - Universidade de Barcelona (1)
- Greenwich Academic Literature Archive - UK (7)
- Harvard University (58)
- Helda - Digital Repository of University of Helsinki (9)
- Helvia: Repositorio Institucional de la Universidad de Córdoba (1)
- Indian Institute of Science - Bangalore - Índia (58)
- Instituto Politécnico de Viseu (1)
- Instituto Politécnico do Porto, Portugal (2)
- Lume - Repositório Digital da Universidade Federal do Rio Grande do Sul (1)
- Memoria Académica - FaHCE, UNLP - Argentina (21)
- Memorial University Research Repository (2)
- Plymouth Marine Science Electronic Archive (PlyMSEA) (1)
- Portal de Revistas Científicas Complutenses - Espanha (1)
- Publishing Network for Geoscientific & Environmental Data (17)
- QSpace: Queen's University - Canada (1)
- QUB Research Portal - Research Directory and Institutional Repository for Queen's University Belfast (36)
- Queensland University of Technology - ePrints Archive (68)
- ReCiL - Repositório Científico Lusófona - Grupo Lusófona, Portugal (1)
- Repositório Científico da Universidade de Évora - Portugal (3)
- Repositório Científico do Instituto Politécnico de Lisboa - Portugal (1)
- Repositório digital da Fundação Getúlio Vargas - FGV (23)
- Repositorio Institucional da UFLA (RIUFLA) (1)
- Repositório Institucional da Universidade de Aveiro - Portugal (4)
- Repositório Institucional da Universidade Estadual de São Paulo - UNESP (2)
- Repositório Institucional UNESP - Universidade Estadual Paulista "Julio de Mesquita Filho" (107)
- Research Open Access Repository of the University of East London. (1)
- SAPIENTIA - Universidade do Algarve - Portugal (1)
- Scientific Open-access Literature Archive and Repository (1)
- Universidad de Alicante (8)
- Universidad del Rosario, Colombia (4)
- Universidad Politécnica de Madrid (34)
- Universidade de Lisboa - Repositório Aberto (1)
- Universidade Federal do Pará (13)
- Universidade Federal do Rio Grande do Norte (UFRN) (9)
- Universidade Metodista de São Paulo (6)
- Universita di Parma (1)
- Universitat de Girona, Spain (1)
- Universitätsbibliothek Kassel, Universität Kassel, Germany (2)
- Université de Lausanne, Switzerland (1)
- Université de Montréal, Canada (16)
- University of Michigan (109)
- University of Queensland eSpace - Australia (1)
- Worcester Research and Publications - Worcester Research and Publications - UK (2)
Resumo:
Slab and cluster model spin-polarized calculations have been carried out to study various properties of isolated first-row transition metal atoms adsorbed on the anionic sites of the regular MgO(100) surface. The calculated adsorption energies follow the trend of the metal cohesive energies, indicating that the changes in the metal-support and metal-metal interactions along the series are dominated by atomic properties. In all cases, except for Ni at the generalized gradient approximation level, the number of unpaired electron is maintained as in the isolated metal atom. The energy required to change the atomic state from high to low spin has been computed using the PW91 and B3LYP density-functional-theory-based methods. PW91 fails to predict the proper ground state of V and Ni, but the results for the isolated and adsorbed atom are consistent within the method. B3LYP properly predicts the ground state of all first-row transition atom the high- to low-spin transition considered is comparable to experiment. In all cases, the interaction with the surface results in a reduced high- to low-spin transition energy.