Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Capítulo de Livro
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Optical and Thermal Radiative Properties of Semiconductors Related to Micro/NanotechnologyZhang, Z.M. ; Fu, C.J. ; Zhu, Q.Z.Advances in Heat Transfer, 2003, Vol.37, p.179-296 [Periódico revisado por pares]United States: Elsevier B.VTexto completo disponível |
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2 |
Material Type: Capítulo de Livro
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Introduction to the Variational and Diffusion Monte Carlo MethodsToulouse, Julien ; Assaraf, Roland ; Umrigar, C. J.Advances in Quantum Chemistry - Electron Correlation in Molecules - Ab Initio beyond Gaussian Quantum Chemistry, Volume 73, 2016, Vol.73, p.1-2 [Periódico revisado por pares]ElsevierTexto completo disponível |
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3 |
Material Type: Capítulo de Livro
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Ionic Liquids from Theoretical InvestigationsKirchner, BarbaraIonic Liquids, 2009, Vol.290, p.213-262 [Periódico revisado por pares]Berlin, Heidelberg: Springer Berlin HeidelbergSem texto completo |
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4 |
Material Type: Capítulo de Livro
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Electronic Structure Studies of PbFeO3 Using Density Functional Theory CalculationsSubramanian, Sathya Sheela ; Aparna, S. ; Supriya, A.Advances in Mechanical Engineering, 2021, p.213-223Singapore: Springer SingaporeSem texto completo |
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5 |
Material Type: Capítulo de Livro
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Inorganic Niobium and Tantalum Octahedral Cluster Halide Compounds with Three-Dimensional Frameworks: A Review on Their Crystallographic and Electronic StructuresLemoine, Pierric ; Halet, Jean-François ; Cordier, StéphaneLigated Transition Metal Clusters in Solid-state Chemistry, 2019, Vol.180, p.143-190 [Periódico revisado por pares]Cham: Springer International PublishingSem texto completo |
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6 |
Material Type: Capítulo de Livro
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A Practical Guide to Reliable First Principles Computational Thermochemistry Predictions Across the Periodic TableDixon, David A. ; Feller, David ; Peterson, Kirk A.Annual Reports in Computational Chemistry, 2012, Vol.8, p.1-28Elsevier Science & TechnologyTexto completo disponível |
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7 |
Material Type: Capítulo de Livro
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Zintl ClathratesShevelkov, Andrei V. ; Kovnir, KirillZintl Phases, 2011, p.97-142 [Periódico revisado por pares]Berlin, Heidelberg: Springer Berlin HeidelbergSem texto completo |
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8 |
Material Type: Capítulo de Livro
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Real-World Predictions from Ab Initio Molecular Dynamics SimulationsKirchner, Barbara ; di Dio, Philipp J. ; Hutter, JürgMultiscale Molecular Methods in Applied Chemistry, 2012, Vol.307, p.109-153 [Periódico revisado por pares]Berlin, Heidelberg: Springer Berlin HeidelbergSem texto completo |
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9 |
Material Type: Capítulo de Livro
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Electronic Structure and Kinetics Calculations for the Si+SH Reaction, a Possible Route of SiS Formation in Star-Forming RegionsRosi, Marzio ; Skouteris, Dimitrios ; Balucani, Nadia ; Mancini, Luca ; Lago, Noelia Faginas ; Podio, Linda ; Codella, Claudio ; Lefloch, Bertrand ; Ceccarelli, CeciliaComputational Science and Its Applications – ICCSA 2019, p.306-315 [Periódico revisado por pares]Cham: Springer International PublishingSem texto completo |
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10 |
Material Type: Capítulo de Livro
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Analyzing GPCR-Ligand Interactions with the Fragment Molecular Orbital (FMO) MethodHeifetz, Alexander ; James, Tim ; Southey, Michelle ; Morao, Inaki ; Fedorov, Dmitri G. ; Bodkin, Mike J. ; Townsend-Nicholson, AndreaMethods in molecular biology (Clifton, N.J.), 2020, Vol.2114, p.163-175New York, NY: Springer USSem texto completo |