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Time-dependent quantum simulation of coronene photoemission spectra
Time-dependent quantum simulation of coronene photoemission spectra
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Time-dependent quantum simulation of coronene photoemission spectra

Acocella, Angela ; de Simone, Monica ; Evangelista, Fabrizio ; Coreno, Marcello ; Rudolf, Petra ; Zerbetto, Francesco

Physical chemistry chemical physics : PCCP, 2016-05, Vol.18 (19), p.1364-13615 [Periódico revisado por pares]

England

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2
Molecular-scale engineering of the charge-transfer excited states in non-covalently bound Zn-porphyrin and carbon fullerene based donor-acceptor complex
Molecular-scale engineering of the charge-transfer excited states in non-covalently bound Zn-porphyrin and carbon fullerene based donor-acceptor complex
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Molecular-scale engineering of the charge-transfer excited states in non-covalently bound Zn-porphyrin and carbon fullerene based donor-acceptor complex

Ahmed, Raka ; Manna, Arun K

Physical chemistry chemical physics : PCCP, 2020-07, Vol.22 (26), p.14822-14831 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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3
End-capped group manipulation of non-fullerene acceptors for efficient organic photovoltaic solar cells: a DFT study
End-capped group manipulation of non-fullerene acceptors for efficient organic photovoltaic solar cells: a DFT study
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End-capped group manipulation of non-fullerene acceptors for efficient organic photovoltaic solar cells: a DFT study

Ahmed, Shahnaz ; Kalita, Dhruba Jyoti

Physical chemistry chemical physics : PCCP, 2020-10, Vol.22 (41), p.23586-23596 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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4
The physical stage of radiolysis of solvated DNA by high-energy-transfer particles: insights from new first principles simulations
The physical stage of radiolysis of solvated DNA by high-energy-transfer particles: insights from new first principles simulations
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The physical stage of radiolysis of solvated DNA by high-energy-transfer particles: insights from new first principles simulations

Alvarez-Ibarra, Aurelio ; Parise, Angela ; Hasnaoui, Karim ; de la Lande, Aurélien

Physical chemistry chemical physics : PCCP, 2020-04, Vol.22 (15), p.7747-7758 [Periódico revisado por pares]

England: Royal Society of Chemistry

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5
First principles characterization of silicate sites in clay surfaces
First principles characterization of silicate sites in clay surfaces
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First principles characterization of silicate sites in clay surfaces

Alvim, Raphael S ; Miranda, Caetano R

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (7), p.4952-496 [Periódico revisado por pares]

England

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6
Quantum states of the endohedral fullerene Li+@C60 surrounded by anions: energy decomposition analysis of nuclear wave functions
Quantum states of the endohedral fullerene Li+@C60 surrounded by anions: energy decomposition analysis of nuclear wave functions
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Quantum states of the endohedral fullerene Li+@C60 surrounded by anions: energy decomposition analysis of nuclear wave functions

Ando, Hideo ; Nakao, Yoshihide

Physical chemistry chemical physics : PCCP, 2021-01, Vol.23 (16), p.9785-9803 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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7
Femtosecond-to-nanosecond dynamics of flavin mononucleotide monitored by stimulated Raman spectroscopy and simulations
Femtosecond-to-nanosecond dynamics of flavin mononucleotide monitored by stimulated Raman spectroscopy and simulations
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Femtosecond-to-nanosecond dynamics of flavin mononucleotide monitored by stimulated Raman spectroscopy and simulations

Andrikopoulos, Prokopis C ; Liu, Yingliang ; Picchiotti, Alessandra ; Lenngren, Nils ; Kloz, Miroslav ; Chaudhari, Aditya S ; Precek, Martin ; Rebarz, Mateusz ; Andreasson, Jakob ; Hajdu, Janos ; Schneider, Bohdan ; Fuertes, Gustavo

Physical chemistry chemical physics : PCCP, 2020-03, Vol.22 (12), p.6538-6552 [Periódico revisado por pares]

England: Royal Society of Chemistry

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8
Insights into lithium ion deposition on lithium metal surfaces
Insights into lithium ion deposition on lithium metal surfaces
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Insights into lithium ion deposition on lithium metal surfaces

Angarita-Gomez, Stefany ; Balbuena, Perla B

Physical chemistry chemical physics : PCCP, 2020-09, Vol.22 (37), p.21369-21382 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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9
Excited-state wavepacket and potential reconstruction by coherent anti-Stokes Raman scattering
Excited-state wavepacket and potential reconstruction by coherent anti-Stokes Raman scattering
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Excited-state wavepacket and potential reconstruction by coherent anti-Stokes Raman scattering

Avisar, David ; Tannor, David J

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (4), p.2297-231 [Periódico revisado por pares]

England

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10
The effect of methyl group rotation on 1H–1H solid-state NMR spin-diffusion spectra
The effect of methyl group rotation on 1H–1H solid-state NMR spin-diffusion spectra
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The effect of methyl group rotation on 1H–1H solid-state NMR spin-diffusion spectra

Bartalucci, Ettore ; Luder, Dominique J ; Terefenko, Nicole ; Malär, Alexander A ; Bolm, Carsten ; Ernst, Matthias ; Wiegand, Thomas

Physical chemistry chemical physics : PCCP, 2023-07, Vol.25 (29), p.19501-19511 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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