Materias dentro de su búsqueda.
Materias dentro de su búsqueda.
Teoría cuántica
90
Física
6
Mecánica ondulatoria
5
Fisicoquímica
4
Procesamiento de datos
4
Química cuántica
4
Simulación por computadoras
4
Teoría de los grupos
4
Filosofía
3
Matemáticas
3
Problemas, ejercicios, etc
3
Ciencia
2
Discursos, ensayos, conferencias
2
Estructura molecular
2
Historia
2
Modelos matemáticos
2
Química
2
Teoria cuántica
2
Algebras de Lie
1
Aspectos sociales
1
Astronomía
1
Bioquímica
1
Dinámica molecular
1
Diseño
1
Drogas
1
Ecuación de Dirac
1
Ecuación de Klein-Gordon
1
Enciclopedias
1
Enseñanza con ayuda de computadoras
1
Espacio de fase (Física estadística)
1
-
1121
-
1122
-
1123
-
1124por Fiederling, Kevin, Abasifard, Mostafa, Richter, Martin, Deckert, Volker, Kupfer, Stephan, Gräfe, Stefanie“…We approach this challenge by combining the two main contributors to plasmon-enhanced Raman spectroscopy and to the high resolution in TERS, in particular, the electromagnetic and the chemical effect, into one quantum mechanical simulation. The electromagnetic effect describes the sample’s interaction with the strong, highly localized, and inhomogeneous electric fields associated with the plasmonic tip and is typically the thematic focus for most mechanistic studies. …”
Publicado 2023
Enlace del recurso
Enlace del recurso
Enlace del recurso
Online Artículo Texto -
1125por Improta, RobertoEnlace del recurso
Publicado 2023
Enlace del recurso
Enlace del recurso
Online Artículo Texto -
1126
-
1127por Müller, Knut, Krause, Florian F., Béché, Armand, Schowalter, Marco, Galioit, Vincent, Löffler, Stefan, Verbeeck, Johan, Zweck, Josef, Schattschneider, Peter, Rosenauer, AndreasEnlace del recurso
Publicado 2014
Enlace del recurso
Enlace del recurso
Online Artículo Texto -
1128“…An efficient computational approach for modeling protein electrostatic is developed according to static point-charge model distributions based on the linear-scaling EE-GMFCC (electrostatically embedded generalized molecular fractionation with conjugate caps) quantum mechanical (QM) method. In this approach, the Electrostatic-Potential atomic charges are obtained from ab initio calculation of protein, both polarization and charge transfer effect are taken into consideration. …”
Enlace del recurso
Enlace del recurso
Enlace del recurso
Online Artículo Texto -
1129“…The present article aims at reviewing recent in silico works, mainly focusing on prebiotic processes occurring on the mineral surfaces of clays, iron sulfides, titanium dioxide, and silica and silicates simulated through quantum mechanical methods based on the density functional theory (DFT). …”
Enlace del recurso
Enlace del recurso
Enlace del recurso
Online Artículo Texto -
1130
-
1131“…In this study, an accurate and efficient fragmentation quantum mechanical (QM) approach of the electrostatically embedded generalized molecular fractionation with conjugate caps (EE-GMFCC) scheme was applied for calculations of excited-state properties of the RNA aptamer–fluorophore complex. …”
Enlace del recurso
Enlace del recurso
Enlace del recurso
Online Artículo Texto -
1132
-
1133por Curceanu, C, Scordo, A, Bragadireanu, M, Pietreanu, T, Sperandio, L, Marton, J, Sirghi, D L, Widmann, E, Ishiwatari, T, Zmeskal, J, Ponta, T, Laubenstein, M, Cargnelli, M, Milotti, E, Bartalucci, S, Iliescu, M, Guaraldo, C, Doce, O V, Bertolucci, S, Egger, J P, Vidal, A R, Sirghi, F, Di Matteo, SEnlace del recurso
Publicado 2011
Enlace del recurso
-
1134“…Mini-Proceedings ECT*: Speakable in quantum mechanics: atomic, nuclear and subnuclear physics tests, ECT*-Trento, 29 August - 2 September, 2011…”
Enlace del recurso
-
1135Scale relativity and fractal space-time: a new approach to unifying relativity and quantum mechanicspor Nottale, Laurent“…It suggests an original solution to the disunified nature of the classical-quantum transition in physical systems, enabling the basis of quantum mechanics on the principle of relativity, provided this principle is extended to scale transformations of the reference system. …”
Publicado 2011
Enlace del recurso
-
1136
-
1137por Moretti, Valter“…Further, this Second Edition collects in one volume a number of useful rigorous results on the mathematical structure of quantum mechanics focusing in particular on von Neumann algebras, Superselection rules, the various notions of Quantum Symmetry and Symmetry Groups, and including a number of fundamental results on the algebraic formulation of quantum theories. …”
Publicado 2017
Enlace del recurso
Enlace del recurso
-
1138
-
1139
-
1140