Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
---|---|---|---|
1 |
Material Type: Livro
|
Principles of chemistryLoren G. Hepler Wayne L SmithNew York Macmillan 1975Localização: CQ - Conjunto das Químicas (540 H529p e.2 )(Acessar) |
|
2 |
Material Type: Artigo
|
Models for the modern power gridCardieri, Paulo, 1964- Universidade Estadual de Campinas (Unicamp); Universidade Estadual De Campinashttps://repositorio.unicamp.br/acervo/detalhe/11912042014Acesso online |
|
3 |
Material Type: Artigo
|
Revised Damping Parameters for the D3 Dispersion Correction to Density Functional TheorySmith, Daniel G. A ; Burns, Lori A ; Patkowski, Konrad ; Sherrill, C. DavidThe journal of physical chemistry letters, 2016-06, Vol.7 (12), p.2197-2203 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
|
4 |
Material Type: Artigo
|
Radiative Heat Pumping from the Earth Using Surface Phonon Resonant NanoparticlesGentle, A. R ; Smith, G. BNano letters, 2010-02, Vol.10 (2), p.373-379 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
|
5 |
Material Type: Artigo
|
Assigning Stereochemistry to Single Diastereoisomers by GIAO NMR Calculation: The DP4 ProbabilitySmith, Steven G ; Goodman, Jonathan MJournal of the American Chemical Society, 2010-09, Vol.132 (37), p.12946-12959 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
|
6 |
Material Type: Artigo
|
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and InteroperabilityParrish, Robert M ; Burns, Lori A ; Smith, Daniel G. A ; Simmonett, Andrew C ; DePrince, A. Eugene ; Hohenstein, Edward G ; Bozkaya, Uğur ; Sokolov, Alexander Yu ; Di Remigio, Roberto ; Richard, Ryan M ; Gonthier, Jérôme F ; James, Andrew M ; McAlexander, Harley R ; Kumar, Ashutosh ; Saitow, Masaaki ; Wang, Xiao ; Pritchard, Benjamin P ; Verma, Prakash ; Schaefer, Henry F ; Patkowski, Konrad ; King, Rollin A ; Valeev, Edward F ; Evangelista, Francesco A ; Turney, Justin M ; Crawford, T. Daniel ; Sherrill, C. DavidJournal of chemical theory and computation, 2017-07, Vol.13 (7), p.3185-3197 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
|
7 |
Material Type: Artigo
|
Charge and Spin State Readout of a Double Quantum Dot Coupled to a ResonatorPetersson, K. D ; Smith, C. G ; Anderson, D ; Atkinson, P ; Jones, G. A. C ; Ritchie, D. ANano letters, 2010-08, Vol.10 (8), p.2789-2793 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
|
8 |
Material Type: Artigo
|
Assigning the Stereochemistry of Pairs of Diastereoisomers Using GIAO NMR Shift CalculationSmith, Steven G ; Goodman, Jonathan MJournal of organic chemistry, 2009-06, Vol.74 (12), p.4597-4607 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
|
9 |
Material Type: Artigo
|
PES-Learn: An Open-Source Software Package for the Automated Generation of Machine Learning Models of Molecular Potential Energy SurfacesAbbott, Adam S ; Turney, Justin M ; Zhang, Boyi ; Smith, Daniel G. A ; Altarawy, Doaa ; Schaefer, Henry FJournal of chemical theory and computation, 2019-08, Vol.15 (8), p.4386-4398 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
|
10 |
Material Type: Artigo
|
MBX: A many-body energy and force calculator for data-driven many-body simulationsRiera, Marc ; Knight, Christopher ; Bull-Vulpe, Ethan F. ; Zhu, Xuanyu ; Agnew, Henry ; Smith, Daniel G. A. ; Simmonett, Andrew C. ; Paesani, FrancescoThe Journal of chemical physics, 2023-08, Vol.159 (5) [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |