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Material Type: Artigo
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Retraction: “Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories” [J. Chem. Phys. 151, 074108 (2019)]Desmarais, Jacques K. ; Flament, Jean-Pierre ; Erba, AlessandroThe Journal of chemical physics, 2021-04, Vol.154 (15), p.159901-159901 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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On the meaning of Berry force for unrestricted systems treated with mean-field electronic structureBian, Xuezhi ; Qiu, Tian ; Chen, Junhan ; Subotnik, Joseph E.The Journal of chemical physics, 2022-06, Vol.156 (23), p.234107-234107 [Periódico revisado por pares]Melville: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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A dynamic correlation dressed complete active space method: Theory, implementation, and preliminary applicationsPathak, Shubhrodeep ; Lang, Lucas ; Neese, FrankThe Journal of chemical physics, 2017-12, Vol.147 (23), p.234109-234109 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Erratum: “Non-orthogonal configuration interaction with single substitutions for the calculation of core-excited states” [J. Chem. Phys. 149, 044116 (2018)]Oosterbaan, Katherine J. ; White, Alec F. ; Head-Gordon, MartinThe Journal of chemical physics, 2018-10, Vol.149 (13), p.139901-139901 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Simultaneous analysis of the Ballik-Ramsay and Phillips systems of C2 and observation of forbidden transitions between singlet and triplet statesChen, Wang ; Kawaguchi, Kentarou ; Bernath, Peter F ; Tang, JianThe Journal of chemical physics, 2015-02, Vol.142 (6), p.064317-064317 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Optical two-dimensional coherent spectroscopy of many-body dipole–dipole interactions and correlations in atomic vaporsLiang, Danfu ; Li, HebinThe Journal of chemical physics, 2021-06, Vol.154 (21), p.214301-214301 [Periódico revisado por pares]Melville: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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A polarizable valence electron density based force field for high-energy interactions between atoms and moleculesRomero, José ; Limão-Vieira, Paulo ; Maihom, Thana ; Hermansson, Kersti ; Probst, MichaelThe Journal of chemical physics, 2024-06, Vol.160 (23) [Periódico revisado por pares]Melville: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Dynamics studies of the H + HBr reaction: Based on a new potential energy surfaceLi, Wentao ; He, Di ; Sun, ZhigangThe Journal of chemical physics, 2019-11, Vol.151 (18), p.185102-185102 [Periódico revisado por pares]Melville: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Structure and dynamics of TIP3P, TIP4P, and TIP5P water near smooth and atomistic walls of different hydroaffinityHarrach, Michael F ; Drossel, BarbaraThe Journal of chemical physics, 2014-05, Vol.140 (17), p.174501-174501 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Prediction of new spin-forbidden transitions in the N2 molecule—the electric dipole A′5Σg+ → A3Σu+ and magnetic dipole a′1Σu−← A3Σu+ transitionsMinaev, Boris ; da Silva, Ramon S. ; Panchenko, Olexander ; Ågren, HansThe Journal of chemical physics, 2023-02, Vol.158 (8) [Periódico revisado por pares]Melville: American Institute of PhysicsTexto completo disponível |