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Refinado por: Base de dados/Biblioteca: American Institute of Physics(アメリカ物理学協会) remover assunto: Chemistry remover
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1
Highly efficient energy excitation transfer in light-harvesting complexes: The fundamental role of noise-assisted transport
Highly efficient energy excitation transfer in light-harvesting complexes: The fundamental role of noise-assisted transport
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Highly efficient energy excitation transfer in light-harvesting complexes: The fundamental role of noise-assisted transport

Caruso, F. ; Chin, A. W. ; Datta, A. ; Huelga, S. F. ; Plenio, M. B.

The Journal of chemical physics, 2009-09, Vol.131 (10), p.105106-105106-15 [Periódico revisado por pares]

The American Physical Society

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2
Reversible target-binding kinetics of multiple impatient particles
Reversible target-binding kinetics of multiple impatient particles
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Reversible target-binding kinetics of multiple impatient particles

Grebenkov, Denis S. ; Kumar, Aanjaneya

The Journal of chemical physics, 2022-02, Vol.156 (8), p.084107-084107 [Periódico revisado por pares]

United States: American Institute of Physics

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3
TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo
TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo
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TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo

Nakano, Kousuke ; Attaccalite, Claudio ; Barborini, Matteo ; Capriotti, Luca ; Casula, Michele ; Coccia, Emanuele ; Dagrada, Mario ; Genovese, Claudio ; Luo, Ye ; Mazzola, Guglielmo ; Zen, Andrea ; Sorella, Sandro

The Journal of chemical physics, 2020-05, Vol.152 (20), p.204121-204121 [Periódico revisado por pares]

Melville: American Institute of Physics

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4
Diffusion toward non-overlapping partially reactive spherical traps: Fresh insights onto classic problems
Diffusion toward non-overlapping partially reactive spherical traps: Fresh insights onto classic problems
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Diffusion toward non-overlapping partially reactive spherical traps: Fresh insights onto classic problems

Grebenkov, Denis S.

The Journal of chemical physics, 2020-06, Vol.152 (24), p.244108-244108 [Periódico revisado por pares]

Melville: American Institute of Physics

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5
Spectral theory of imperfect diffusion-controlled reactions on heterogeneous catalytic surfaces
Spectral theory of imperfect diffusion-controlled reactions on heterogeneous catalytic surfaces
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Spectral theory of imperfect diffusion-controlled reactions on heterogeneous catalytic surfaces

Grebenkov, Denis S.

The Journal of chemical physics, 2019-09, Vol.151 (10) [Periódico revisado por pares]

Melville: American Institute of Physics

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6
Scalable molecular dynamics on CPU and GPU architectures with NAMD
Scalable molecular dynamics on CPU and GPU architectures with NAMD
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Scalable molecular dynamics on CPU and GPU architectures with NAMD

Phillips, James C. ; Hardy, David J. ; Maia, Julio D. C. ; Stone, John E. ; Ribeiro, João V. ; Bernardi, Rafael C. ; Buch, Ronak ; Fiorin, Giacomo ; Hénin, Jérôme ; Jiang, Wei ; McGreevy, Ryan ; Melo, Marcelo C. R. ; Radak, Brian K. ; Skeel, Robert D. ; Singharoy, Abhishek ; Wang, Yi ; Roux, Benoît ; Aksimentiev, Aleksei ; Luthey-Schulten, Zaida ; Kalé, Laxmikant V. ; Schulten, Klaus ; Chipot, Christophe ; Tajkhorshid, Emad

The Journal of chemical physics, 2020-07, Vol.153 (4), p.044130-044130 [Periódico revisado por pares]

United States: American Institute of Physics

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7
Extending the accuracy of the SNAP interatomic potential form
Extending the accuracy of the SNAP interatomic potential form
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Extending the accuracy of the SNAP interatomic potential form

Wood, Mitchell A. ; Thompson, Aidan P.

The Journal of chemical physics, 2018-06, Vol.148 (24), p.241721-241721 [Periódico revisado por pares]

United States: American Institute of Physics (AIP)

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8
Highly ordered graphite (HOPG) to hexagonal diamond (lonsdaleite) phase transition observed on picosecond time scales using ultrafast x-ray diffraction
Highly ordered graphite (HOPG) to hexagonal diamond (lonsdaleite) phase transition observed on picosecond time scales using ultrafast x-ray diffraction
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Highly ordered graphite (HOPG) to hexagonal diamond (lonsdaleite) phase transition observed on picosecond time scales using ultrafast x-ray diffraction

Armstrong, Michael R. ; Radousky, Harry B. ; Austin, Ryan A. ; Tschauner, Oliver ; Brown, Shaughnessy ; Gleason, Arianna E. ; Goldman, Nir ; Granados, Eduardo ; Grivickas, Paulius ; Holtgrewe, Nicholas ; Kroonblawd, Matthew P. ; Lee, Hae Ja ; Lobanov, Sergey ; Nagler, Bob ; Nam, Inhyuk ; Prakapenka, Vitali ; Prescher, Clemens ; Reed, Evan J. ; Stavrou, Elissaios ; Walter, Peter ; Goncharov, Alexander F. ; Belof, Jonathan L.

Journal of applied physics, 2022-08, Vol.132 (5) [Periódico revisado por pares]

United States: American Institute of Physics (AIP)

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9
H 2 , HD, and D 2 in the small cage of structure II clathrate hydrate: Vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates
H 2 , HD, and D 2 in the small cage of structure II clathrate hydrate: Vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates
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H 2 , HD, and D 2 in the small cage of structure II clathrate hydrate: Vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates

Lauvergnat, David ; Felker, Peter ; Scribano, Yohann ; Benoit, David M ; Bačić, Zlatko

The Journal of chemical physics, 2019-04, Vol.150 (15), p.154303 [Periódico revisado por pares]

United States: American Institute of Physics

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10
Influence of non-adiabatic effects on linear absorption spectra in the condensed phase: Methylene blue
Influence of non-adiabatic effects on linear absorption spectra in the condensed phase: Methylene blue
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Influence of non-adiabatic effects on linear absorption spectra in the condensed phase: Methylene blue

Dunnett, Angus J. ; Gowland, Duncan ; Isborn, Christine M. ; Chin, Alex W. ; Zuehlsdorff, Tim J.

The Journal of chemical physics, 2021-10, Vol.155 (14), p.144112-144112 [Periódico revisado por pares]

Melville: American Institute of Physics

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