Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artigo
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Comparison of the Argon Triple-Point Temperature in Small Cells of Different ConstructionKołodziej, B. ; Kowal, A. ; Lipiński, L. ; Manuszkiewicz, H. ; Szmyrka-Grzebyk, A.International journal of thermophysics, 2017, Vol.38 (6), p.1-7, Article 94 [Periódico revisado por pares]New York: Springer USTexto completo disponível |
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2 |
Material Type: Artigo
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Ab initio calculations of nitrogen oxide reactions: formation of N2O2, N2O3, N2O4, N2O5, and N4O2 from NO, NO2, NO3, and N2OGlendening, Eric D ; Halpern, Arthur MThe Journal of chemical physics, 2007-10, Vol.127 (16), p.164307-164307 [Periódico revisado por pares]United StatesTexto completo disponível |
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3 |
Material Type: Artigo
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Ab initio analytical infrared intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham methodMaschio, Lorenzo ; Kirtman, Bernard ; Orlando, Roberto ; Rèrat, MichelThe Journal of chemical physics, 2012-11, Vol.137 (20), p.204113-204113 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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4 |
Material Type: Artigo
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The ground state tunneling splitting of malonaldehyde: accurate full dimensional quantum dynamics calculationsCoutinho-Neto, Maurício D ; Viel, Alexandra ; Manthe, UweThe Journal of chemical physics, 2004-11, Vol.121 (19), p.9207-9210 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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5 |
Material Type: Artigo
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Gas-Phase Tropospheric Chemistry of Volatile Organic Compounds: 1. Alkanes and AlkenesAtkinson, R.Journal of physical and chemical reference data, 1997-03, Vol.26 (2), p.215-290 [Periódico revisado por pares]Texto completo disponível |
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6 |
Material Type: Artigo
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Accurate and efficient algorithm for Bader charge integrationYu, Min ; Trinkle, Dallas R.The Journal of chemical physics, 2011-02, Vol.134 (6), p.064111-064111-8 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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7 |
Material Type: Artigo
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Benchmark oxygen-oxygen pair-distribution function of ambient water from x-ray diffraction measurements with a wide Q-rangeSkinner, Lawrie B ; Huang, Congcong ; Schlesinger, Daniel ; Pettersson, Lars G M ; Nilsson, Anders ; Benmore, Chris JThe Journal of chemical physics, 2013-02, Vol.138 (7), p.074506-074506 [Periódico revisado por pares]United StatesTexto completo disponível |
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8 |
Material Type: Artigo
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A generalized solid-state nudged elastic band methodSheppard, Daniel ; Xiao, Penghao ; Chemelewski, William ; Johnson, Duane D. ; Henkelman, GraemeThe Journal of chemical physics, 2012-02, Vol.136 (7), p.074103-074103-8 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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9 |
Material Type: Artigo
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Atom-centered symmetry functions for constructing high-dimensional neural network potentialsBehler, JörgThe Journal of chemical physics, 2011-02, Vol.134 (7), p.074106-074106-13 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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10 |
Material Type: Artigo
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Perspective: Nonadiabatic dynamics theoryTully, John CThe Journal of chemical physics, 2012-12, Vol.137 (22), p.22A301-22A301 [Periódico revisado por pares]United StatesTexto completo disponível |