16 resultados para Error Floor
Filtro por publicador
- Aberystwyth University Repository - Reino Unido (8)
- Acceda, el repositorio institucional de la Universidad de Las Palmas de Gran Canaria. España (2)
- AMS Tesi di Dottorato - Alm@DL - Università di Bologna (3)
- AMS Tesi di Laurea - Alm@DL - Università di Bologna (5)
- Andina Digital - Repositorio UASB-Digital - Universidade Andina Simón Bolívar (2)
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- Biblioteca Digital da Produção Intelectual da Universidade de São Paulo (BDPI/USP) (14)
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- Bucknell University Digital Commons - Pensilvania - USA (1)
- CaltechTHESIS (2)
- Cámara de Comercio de Bogotá, Colombia (1)
- Cambridge University Engineering Department Publications Database (96)
- CentAUR: Central Archive University of Reading - UK (94)
- Center for Jewish History Digital Collections (1)
- Chinese Academy of Sciences Institutional Repositories Grid Portal (21)
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- Comissão Econômica para a América Latina e o Caribe (CEPAL) (3)
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- DI-fusion - The institutional repository of Université Libre de Bruxelles (1)
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- DigitalCommons@University of Nebraska - Lincoln (1)
- Duke University (6)
- eResearch Archive - Queensland Department of Agriculture; Fisheries and Forestry (2)
- FAUBA DIGITAL: Repositorio institucional científico y académico de la Facultad de Agronomia de la Universidad de Buenos Aires (1)
- Funes: Repositorio digital de documentos en Educación Matemática - Colombia (2)
- Greenwich Academic Literature Archive - UK (2)
- Helda - Digital Repository of University of Helsinki (8)
- Indian Institute of Science - Bangalore - Índia (72)
- Instituto Politécnico do Porto, Portugal (2)
- Massachusetts Institute of Technology (5)
- Memoria Académica - FaHCE, UNLP - Argentina (18)
- Ministerio de Cultura, Spain (28)
- Plymouth Marine Science Electronic Archive (PlyMSEA) (12)
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- QUB Research Portal - Research Directory and Institutional Repository for Queen's University Belfast (92)
- Queensland University of Technology - ePrints Archive (82)
- Repositório Científico do Instituto Politécnico de Lisboa - Portugal (1)
- Repositório digital da Fundação Getúlio Vargas - FGV (1)
- Repositório Digital da UNIVERSIDADE DA MADEIRA - Portugal (1)
- Repositório Institucional UNESP - Universidade Estadual Paulista "Julio de Mesquita Filho" (46)
- RUN (Repositório da Universidade Nova de Lisboa) - FCT (Faculdade de Cienecias e Technologia), Universidade Nova de Lisboa (UNL), Portugal (2)
- SAPIENTIA - Universidade do Algarve - Portugal (2)
- School of Medicine, Washington University, United States (3)
- Universidad Autónoma de Nuevo León, Mexico (2)
- Universidad del Rosario, Colombia (4)
- Universidade de Lisboa - Repositório Aberto (1)
- Universidade Federal do Pará (1)
- Universidade Federal do Rio Grande do Norte (UFRN) (1)
- Universitat de Girona, Spain (16)
- Universitätsbibliothek Kassel, Universität Kassel, Germany (2)
- Université de Lausanne, Switzerland (4)
- Université de Montréal, Canada (4)
- University of Connecticut - USA (1)
- University of Queensland eSpace - Australia (1)
- University of Southampton, United Kingdom (1)
- WestminsterResearch - UK (2)
Resumo:
A primary interest of this thesis is to obtain a powerful tool for determining structural properties, electrical and reactivity of molecules. A second interest is the study of fundamental error based on complex overlay of bridge hydrogen. One way to correct this error, using Counterpoise correction proposed by Boys and Bernardi. Usually the Counterpoise correction is applied promptly on the geometries previously optimized. Our goal was to find areas of potential which had all the points fixed with CP. These surfaces have a minimum corresponding to a surface other than corrected, ie, the geometric parameters will be different. The curvature of this minimum will also be different, therefore the vibrational frequency will also change when they are corrected with BSSE. Once constructed these surfaces have been studied various complex. It has also been investigated as the method for calculating the error influenced on the basis superposition.