Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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Material Type: Artigo
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Investigation of the CH3Cl + CN(-) reaction in water: Multilevel quantum mechanics/molecular mechanics studyXu, Yulong ; Zhang, Jingxue ; Wang, DunyouThe Journal of chemical physics, 2015-06, Vol.142 (24), p.244505-244505 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Comparison of polarizable continuum model and quantum mechanics/molecular mechanics solute electronic polarization study of the optical and magnetic properties of diazines in waterVinícius Manzoni Marcelo L Lyra; Sylvio Canuto; Kaline CoutinhoTHE JOURNAL OF CHEMICAL PHYSICS Lancaster v.135, n. 14, p. 144103, out.2011Lancaster 2011Acesso online |
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Material Type: Artigo
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Comparison of polarizable continuum model and quantum mechanics/molecular mechanics solute electronic polarization study of the optical and magnetic properties of diazines in waterVinícius Manzoni Marcelo L Lyra; Sylvio Canuto; Kaline CoutinhoTHE JOURNAL OF CHEMICAL PHYSICS Lancaster v.135, n. 14, p. 144103, out.2011Lancaster 2011Acesso online |
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Material Type: Artigo
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Perspectives on determinism in quantum mechanics: Born, Bohm, and the “Quantal Newtonian” lawsSahni, VirahtThe Journal of chemical physics, 2022-12, Vol.157 (24), p.244106-244106 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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A combined molecular dynamics simulation and quantum mechanics study on the physisorption of biodegradable CBNAILs on h-BN nanosheetsTorkzadeh, Mehrangiz ; Moosavi, MajidThe Journal of chemical physics, 2018-08, Vol.149 (7), p.074704-074704 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Onsets of hierarchy truncation and self-consistent Born approximation with quantum mechanics prescriptions invarianceZhang, Hou-Dao ; Yan, YiJingThe Journal of chemical physics, 2015-12, Vol.143 (21), p.214112-214112 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Quantum mechanics of open systems: Dissipaton theoriesWang, Yao ; Yan, YiJingThe Journal of chemical physics, 2022-11, Vol.157 (17), p.170901-170901 [Periódico revisado por pares]Melville: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Communication: Quantum mechanics without wavefunctionsSchiff, Jeremy ; Poirier, BillThe Journal of chemical physics, 2012-01, Vol.136 (3), p.031102-031102-4 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
9 |
Material Type: Artigo
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Real-time and imaginary-time quantum hierarchal Fokker-Planck equationsTanimura, YoshitakaThe Journal of chemical physics, 2015-04, Vol.142 (14), p.144110-144110 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
10 |
Material Type: Artigo
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Conical intersections in solution: Formulation, algorithm, and implementation with combined quantum mechanics/molecular mechanics methodCui, Ganglong ; Yang, WeitaoThe Journal of chemical physics, 2011-05, Vol.134 (20), p.204115-204115-12 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |