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Quantum mechanics-free subsystem with mechanical oscillators
Quantum mechanics-free subsystem with mechanical oscillators
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Quantum mechanics-free subsystem with mechanical oscillators

Mercier de Lépinay, Laure ; Ockeloen-Korppi, Caspar F ; Woolley, Matthew J ; Sillanpää, Mika A

Science (American Association for the Advancement of Science), 2021-05, Vol.372 (6542), p.625-629 [Periódico revisado por pares]

United States: The American Association for the Advancement of Science

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Theoretical investigations of a platinum-water interface using quantum-mechanics-molecular-mechanics based molecular dynamics simulations
Theoretical investigations of a platinum-water interface using quantum-mechanics-molecular-mechanics based molecular dynamics simulations
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Theoretical investigations of a platinum-water interface using quantum-mechanics-molecular-mechanics based molecular dynamics simulations

Hardikar, R. P ; Mondal, Unmesh ; Thakkar, Foram M ; Roy, Sudip ; Ghosh, Prasenjit

Physical chemistry chemical physics : PCCP, 2019-11, Vol.21 (44), p.24345-24353 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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3
Multi-level quantum mechanics theories and molecular mechanics study of the double-inversion mechanism of the F− + CH3I reaction in aqueous solution
Multi-level quantum mechanics theories and molecular mechanics study of the double-inversion mechanism of the F− + CH3I reaction in aqueous solution
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Multi-level quantum mechanics theories and molecular mechanics study of the double-inversion mechanism of the F− + CH3I reaction in aqueous solution

Liu, Peng ; Zhang, Jingxue ; Wang, Dunyou

Physical chemistry chemical physics : PCCP, 2017-06, Vol.19 (22), p.14358-14365 [Periódico revisado por pares]

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4
Hidden fluid mechanics: Learning velocity and pressure fields from flow visualizations
Hidden fluid mechanics: Learning velocity and pressure fields from flow visualizations
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Hidden fluid mechanics: Learning velocity and pressure fields from flow visualizations

Raissi, Maziar ; Yazdani, Alireza ; Karniadakis, George Em

Science (American Association for the Advancement of Science), 2020-02, Vol.367 (6481), p.1026-1030 [Periódico revisado por pares]

United States: The American Association for the Advancement of Science

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5
Nanoscale mechanics of microgel particles
Nanoscale mechanics of microgel particles
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Nanoscale mechanics of microgel particles

Aufderhorst-Roberts, Anders ; Baker, Daniel ; Foster, Richard J ; Cayre, Olivier ; Mattsson, Johan ; Connell, Simon D

Nanoscale, 2018-01, Vol.10 (34), p.16050-16061 [Periódico revisado por pares]

England: Royal Society of Chemistry

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6
Quantum mechanics/molecular mechanics studies on the excited-state decay mechanisms of cytidine aza-analogues: 5-azacytidine and 2′-deoxy-5-azacytidine in aqueous solution
Quantum mechanics/molecular mechanics studies on the excited-state decay mechanisms of cytidine aza-analogues: 5-azacytidine and 2′-deoxy-5-azacytidine in aqueous solution
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Quantum mechanics/molecular mechanics studies on the excited-state decay mechanisms of cytidine aza-analogues: 5-azacytidine and 2′-deoxy-5-azacytidine in aqueous solution

Chang, Xue-Ping ; Fan, Feng-Ran ; Zhang, Teng-Shuo ; Xie, Bin-Bin

Physical chemistry chemical physics : PCCP, 2023-10, Vol.25 (38), p.26258-26269 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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7
Mechanics of 2D material bubbles
Mechanics of 2D material bubbles
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Mechanics of 2D material bubbles

Cui, Xuwei ; Liu, Luqi ; Dong, Wenlong ; Zhou, Yekai ; Zhang, Zhong

Nano research, 2023-12, Vol.16 (12), p.13434-13449 [Periódico revisado por pares]

Beijing: Tsinghua University Press

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8
Uncertainty Principle Determines the Nonlocality of Quantum Mechanics
Uncertainty Principle Determines the Nonlocality of Quantum Mechanics
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Uncertainty Principle Determines the Nonlocality of Quantum Mechanics

Oppenheim, Jonathan ; Wehner, Stephanie

Science (American Association for the Advancement of Science), 2010-11, Vol.330 (6007), p.1072-1074 [Periódico revisado por pares]

Washington, DC: American Association for the Advancement of Science

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9
An assessment of water placement algorithms in quantum mechanics/molecular mechanics modeling: the case of rhodopsins' first spectral absorption band maxima
An assessment of water placement algorithms in quantum mechanics/molecular mechanics modeling: the case of rhodopsins' first spectral absorption band maxima
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An assessment of water placement algorithms in quantum mechanics/molecular mechanics modeling: the case of rhodopsins' first spectral absorption band maxima

Nikolaev, Dmitrii M ; Shtyrov, Andrey A ; Mereshchenko, Andrey S ; Panov, Maxim S ; Tveryanovich, Yuri S ; Ryazantsev, Mikhail N

Physical chemistry chemical physics : PCCP, 2020-08, Vol.22 (32), p.18114-18123 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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10
Modelling absorption and emission of a meso-aniline-BODIPY based dye with molecular mechanics
Modelling absorption and emission of a meso-aniline-BODIPY based dye with molecular mechanics
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Modelling absorption and emission of a meso-aniline-BODIPY based dye with molecular mechanics

de Jong, Flip ; Feldt, Milica ; Feldt, Jonas ; Harvey, Jeremy N

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (21), p.14537-14544 [Periódico revisado por pares]

England: Royal Society of Chemistry

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