Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
---|---|---|---|
1 |
Material Type: Artigo
|
Interpolation for molecular dynamics simulations: from ions in gas phase to proteins in solutionRhee, Young Min ; Park, Jae WooInternational journal of quantum chemistry, 2016-04, Vol.116 (8), p.573-577 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
|
2 |
Material Type: Artigo
|
Molecular dynamics approach to sodium-water reaction compensating macroscopic heat and mass flow dynamics for LMFBR safetyFukushima, Kimichika ; Ugawa, Yukio ; Endo, Hiroshi ; Shindo, Yoshihisa ; Tatewaki, Isao ; Haga, Kazuo ; Inoue, MasaakiInternational journal of quantum chemistry, 2012-12, Vol.112 (24), p.3829-3833 [Periódico revisado por pares]Hoboken: Wiley Subscription Services, Inc., A Wiley CompanyTexto completo disponível |
|
3 |
Material Type: Artigo
|
Classical and quantum dynamics at surfaces: Basic concepts from simple modelsBonfanti, Matteo ; Martinazzo, RoccoInternational journal of quantum chemistry, 2016-11, Vol.116 (21), p.1575-1602 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
|
4 |
Material Type: Artigo
|
Integral means and Dirichlet integral for analytic functionsObradović, Milutin ; Ponnusamy, S. ; Wirths, Karl-JoachimMathematische Nachrichten, 2015-02, Vol.288 (2-3), p.334-342 [Periódico revisado por pares]Weinheim: Blackwell Publishing LtdTexto completo disponível |
|
5 |
Material Type: Artigo
|
Quadrupole ICP-MS: Introduction to Instrumentation, Measurement Techniques and Analytical CapabilitiesLinge, Kathryn L. ; Jarvis, Kym E.Geostandards and geoanalytical research, 2009-12, Vol.33 (4), p.445-467 [Periódico revisado por pares]Oxford, UK: Blackwell Publishing LtdTexto completo disponível |
|
6 |
Material Type: Artigo
|
Evaluation of the molecular static and dynamic first hyperpolarizabilitiesde Wergifosse, Marc ; Liégeois, Vincent ; Champagne, BenoîtInternational journal of quantum chemistry, 2014-07, Vol.114 (14), p.900-910 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
|
7 |
Material Type: Artigo
|
Thermodynamic properties of diatomic molecule systems under SO(2,1)‐anharmonic Eckart potentialValencia‐Ortega, Gabriel ; Arias‐Hernandez, Luis‐AntonioInternational journal of quantum chemistry, 2018-07, Vol.118 (14), p.n/a [Periódico revisado por pares]Hoboken: Wiley Subscription Services, IncTexto completo disponível |
|
8 |
Material Type: Artigo
|
Constructing high-dimensional neural network potentials: A tutorial reviewBehler, JörgInternational journal of quantum chemistry, 2015-08, Vol.115 (16), p.1032-1050 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
|
9 |
Material Type: Artigo
|
Near Activation and Differential Activation in Enzymatic ReactionsMaggi, Federico ; Riley, William J.International journal of chemical kinetics, 2017-05, Vol.49 (5), p.305-318 [Periódico revisado por pares]Hoboken: Wiley Subscription Services, IncTexto completo disponível |
|
10 |
Material Type: Artigo
|
First principles view on chemical compound space: Gaining rigorous atomistic control of molecular propertiesvon Lilienfeld, O. AnatoleInternational journal of quantum chemistry, 2013-06, Vol.113 (12), p.1676-1689 [Periódico revisado por pares]Hoboken: Wiley Subscription Services, Inc., A Wiley CompanyTexto completo disponível |