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Subject: "[Density functional theory"

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Title: A density functional theory study of the reconstruction of gold (111) surfaces
Author: Torres E. / Dilabio G.A.
Language: Inglés
Repository: 61
Subject: Gold / Density functional theory studies / Gold particles / Reconstructed surfaces / Sub nanometers / Type reconstruction / Unit cells / Repair
Title: Efecto de la curvatura de la superficie en la adsorción de gases simples sobre materiales carbonosos usando la teoría del funcional de la densidad (DFT) / Effects of the surface curvature on the adsorption of simple gases over carbonaceous materials using the density functional theory (DFT)
Author: Albesa, Alberto Gustavo / Filippín, Alejandro / Vicente, José Luis
Language: Español
Repository: 37
Subject: Química / Metano / Nitrógeno / Adsorción de gases / Nanotubos / Materiales carbonosos / Methane / Nitrogen / Gas adsorption / Nanotubes / Carbonaceous materials

Acceder
Title: Silver-capped silicon nanopillar platforms for adsorption studies of folic acid using surface enhanced Raman spectroscopy and density functional theory
Author: Castillo, John J. / Rindzevicius, Tomas / Wu, Kaiyu / E. Rozo, Ciro / Schmidta, Michael S. / Boisena, Anja
Language: Desconocido
Repository: 40
Subject: SERS / Nanopillar / Silver / Folic acid / Adsorption isotherm

Acceder
Title: Density-functional theory with dispersion-correcting potentials for methane: Bridging the efficiency and accuracy gap between high-level wave function and classical molecular mechanics methods
Author: Torres E. / Dilabio G.A.
Language: Inglés
Repository: 61
Title: Computational Study of Allotropic Structures of Carbon by Density Functional Theory (DTF) / Estudio computacional de las estructuras alotrópicas del carbono utilizando Teoría de Funcionales de Densidad (DFT)
Author: Gonzalez Carmona, Juan Manuel / Ortega Portilla, Carolina / Barbosa, Christian / Ruden Muñoz, Alexander / Sequeda Osorio, Federico
Language: Inglés
Repository: 15
Subject: DFT / Computational Simulation / allotropic structures / Molecular Orbital / Electrostatic Potential. / simulación computacional / estructuras alotrópicas / orbital molecular / potencial electroestático.
Title: The electronic and optical properties of the sulvanite compounds: A many-body perturbation and time-dependent density functional theory study / Journal of Physics Condensed Matter
Author: Espinosa-Garcia W.F. / Pérez-Walton S. / Osorio-Guillén J.M. / Moyses Araujo C.
Language: Desconocido
Repository: 56

Acceder
Title: A machine assisted proof of the subject reduction property for small typed functional language. Master Thesis
Language: Inglés
Repository: 65
Subject: PROGRAMACION FUNCIONAL / ALF / TEORIA DE TIPOS / TYPE THEORY / FUNCTIONAL PROGRAMMING

Acceder
Title: Reasoning about functional programs by combining interactive and automatic proofs
Language: Inglés
Repository: 65
Subject: Demostración automática de teoremas / Demostración interactiva de teoremas / Evaluación perezosa / Teoría de tipos / Lenguajes totales / Recursión general / Teorías de primer orden / Verificación de programas funcionales / Automatic proofs / First-order theories / Functional program correctness / General recursion / Interactive proofs / Lazy evaluation / Total languages / Type theory

Acceder
Title: Motives Driving Functional Food Consumption among Portuguese Students
Author: Nascimento, Jorge Pimentel
Language: Inglés
Repository: 73
Subject: Consumer motivation / Means-End Chain Theory / Food-Related Lifestyles / Functional Foods / Motivação do Consumidor / Teoria da Cadeia de Meios e Fins / Estilos de Vida Alimentares / Alimentos Funcionais

Acceder
Title: Assessment and training of perspective taking: a functional analytical proposal / Evaluación y entrenamiento de la toma de perspectiva: una propuesta analítica funcional
Author: Naranjo Meléndez, G. Adriana
Language: Español
Repository: 40
Subject: Psicología / Psychology / toma de perspectiva / teoría de los marcos relacionales / marcos deícticos / entrenamiento en múltiples ejemplares / perspective taking / relational frame theory / deictic frames / multiple exemplar training

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