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Investigation of the CH3Cl + CN(-) reaction in water: Multilevel quantum mechanics/molecular mechanics study
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Investigation of the CH3Cl + CN(-) reaction in water: Multilevel quantum mechanics/molecular mechanics study

Xu, Yulong ; Zhang, Jingxue ; Wang, Dunyou

The Journal of chemical physics, 2015-06, Vol.142 (24), p.244505-244505 [Periódico revisado por pares]

United States: American Institute of Physics

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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 water

Vinícius Manzoni Marcelo L Lyra; Sylvio Canuto; Kaline Coutinho

THE JOURNAL OF CHEMICAL PHYSICS Lancaster v.135, n. 14, p. 144103, out.2011

Lancaster 2011

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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 water

Vinícius Manzoni Marcelo L Lyra; Sylvio Canuto; Kaline Coutinho

THE JOURNAL OF CHEMICAL PHYSICS Lancaster v.135, n. 14, p. 144103, out.2011

Lancaster 2011

Acesso online

4
Perspectives on determinism in quantum mechanics: Born, Bohm, and the “Quantal Newtonian” laws
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Perspectives on determinism in quantum mechanics: Born, Bohm, and the “Quantal Newtonian” laws

Sahni, Viraht

The Journal of chemical physics, 2022-12, Vol.157 (24), p.244106-244106 [Periódico revisado por pares]

United States: American Institute of Physics

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5
A combined molecular dynamics simulation and quantum mechanics study on the physisorption of biodegradable CBNAILs on h-BN nanosheets
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A combined molecular dynamics simulation and quantum mechanics study on the physisorption of biodegradable CBNAILs on h-BN nanosheets

Torkzadeh, Mehrangiz ; Moosavi, Majid

The Journal of chemical physics, 2018-08, Vol.149 (7), p.074704-074704 [Periódico revisado por pares]

United States: American Institute of Physics

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6
Onsets of hierarchy truncation and self-consistent Born approximation with quantum mechanics prescriptions invariance
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Onsets of hierarchy truncation and self-consistent Born approximation with quantum mechanics prescriptions invariance

Zhang, Hou-Dao ; Yan, YiJing

The Journal of chemical physics, 2015-12, Vol.143 (21), p.214112-214112 [Periódico revisado por pares]

United States: American Institute of Physics

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7
Quantum mechanics of open systems: Dissipaton theories
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Quantum mechanics of open systems: Dissipaton theories

Wang, Yao ; Yan, YiJing

The Journal of chemical physics, 2022-11, Vol.157 (17), p.170901-170901 [Periódico revisado por pares]

Melville: American Institute of Physics

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8
Communication: Quantum mechanics without wavefunctions
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Communication: Quantum mechanics without wavefunctions

Schiff, Jeremy ; Poirier, Bill

The Journal of chemical physics, 2012-01, Vol.136 (3), p.031102-031102-4 [Periódico revisado por pares]

United States: American Institute of Physics

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9
Real-time and imaginary-time quantum hierarchal Fokker-Planck equations
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Real-time and imaginary-time quantum hierarchal Fokker-Planck equations

Tanimura, Yoshitaka

The Journal of chemical physics, 2015-04, Vol.142 (14), p.144110-144110 [Periódico revisado por pares]

United States: American Institute of Physics

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Conical intersections in solution: Formulation, algorithm, and implementation with combined quantum mechanics/molecular mechanics method
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Conical intersections in solution: Formulation, algorithm, and implementation with combined quantum mechanics/molecular mechanics method

Cui, Ganglong ; Yang, Weitao

The Journal of chemical physics, 2011-05, Vol.134 (20), p.204115-204115-12 [Periódico revisado por pares]

United States: American Institute of Physics

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