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A molecular dynamics study of the hydroxyl radical in solution applying self-interaction-corrected density functional methods
A molecular dynamics study of the hydroxyl radical in solution applying self-interaction-corrected density functional methods
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A molecular dynamics study of the hydroxyl radical in solution applying self-interaction-corrected density functional methods

VandeVondele, Joost ; Sprik, Michiel

Physical chemistry chemical physics : PCCP, 2005-04, Vol.7 (7), p.1363-1367 [Periódico revisado por pares]

England

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2
Evidence of pre-micellar aggregates in aqueous solution of amphiphilic PDMS-PEO block copolymer
Evidence of pre-micellar aggregates in aqueous solution of amphiphilic PDMS-PEO block copolymer
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Evidence of pre-micellar aggregates in aqueous solution of amphiphilic PDMS-PEO block copolymer

Lombardo, Domenico ; Munaò, Gianmarco ; Calandra, Pietro ; Pasqua, Luigi ; Caccamo, Maria Teresa

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (22), p.11983-11991 [Periódico revisado por pares]

England: Royal Society of Chemistry

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3
Multi-scale theoretical approach to X-ray absorption spectra in disordered systems: an application to the study of Zn(ii) in water
Multi-scale theoretical approach to X-ray absorption spectra in disordered systems: an application to the study of Zn(ii) in water
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Multi-scale theoretical approach to X-ray absorption spectra in disordered systems: an application to the study of Zn(ii) in water

Stellato, Francesco ; Calandra, Matteo ; D'Acapito, Francesco ; De Santis, Emiliano ; La Penna, Giovanni ; Rossi, Giancarlo ; Morante, Silvia

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (38), p.24775-24782 [Periódico revisado por pares]

England: Royal Society of Chemistry

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4
Electron-impact ionization of hydrogen chloride
Electron-impact ionization of hydrogen chloride
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Electron-impact ionization of hydrogen chloride

HARPER, Sarah ; CALANDRA, Pietro ; PRICE, Stephen D

Physical chemistry chemical physics : PCCP, 2001, Vol.3 (5), p.741-749 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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5
First-principles prediction of phonon-mediated superconductivity in XBC (X = Mg, Ca, Sr, Ba)
First-principles prediction of phonon-mediated superconductivity in XBC (X = Mg, Ca, Sr, Ba)
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First-principles prediction of phonon-mediated superconductivity in XBC (X = Mg, Ca, Sr, Ba)

Haque, Enamul ; Hossain, M. Anwar ; Stampfl, Catherine

Physical chemistry chemical physics : PCCP, 2019-04, Vol.21 (17), p.8767-8773 [Periódico revisado por pares]

England: Royal Society of Chemistry

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6
A first-principles examination of conducting monolayer 1T′-MX 2 (M = Mo, W; X = S, Se, Te): promising catalysts for hydrogen evolution reaction and its enhancement by strain
A first-principles examination of conducting monolayer 1T′-MX 2 (M = Mo, W; X = S, Se, Te): promising catalysts for hydrogen evolution reaction and its enhancement by strain
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A first-principles examination of conducting monolayer 1T′-MX 2 (M = Mo, W; X = S, Se, Te): promising catalysts for hydrogen evolution reaction and its enhancement by strain

Putungan, Darwin Barayang ; Lin, Shi-Hsin ; Kuo, Jer-Lai

Physical chemistry chemical physics : PCCP, 2015, Vol.17 (33), p.21702-21708 [Periódico revisado por pares]

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7
Identification of the key steps in the self-assembly of homogeneous gold metal nanoparticles produced using inverse micelles
Identification of the key steps in the self-assembly of homogeneous gold metal nanoparticles produced using inverse micelles
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Identification of the key steps in the self-assembly of homogeneous gold metal nanoparticles produced using inverse micelles

Decarolis, Donato ; Odarchenko, Yaroslav ; Herbert, Jennifer J ; Qiu, Chengwu ; Longo, Alessandro ; Beale, Andrew M

Physical chemistry chemical physics : PCCP, 2020-09, Vol.22 (34), p.18824-18834 [Periódico revisado por pares]

England: Royal Society of Chemistry

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8
Electronic, optical and thermoelectric properties of boron-doped nitrogenated holey graphene
Electronic, optical and thermoelectric properties of boron-doped nitrogenated holey graphene
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Electronic, optical and thermoelectric properties of boron-doped nitrogenated holey graphene

Tromer, Raphael M ; Freitas, A ; Felix, Isaac M ; Mortazavi, Bohayra ; Machado, L. D ; Azevedo, S ; Pereira, Luiz Felipe C

Physical chemistry chemical physics : PCCP, 2020-09, Vol.22 (37), p.21147-21157 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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9
Log-Gaussian gamma processes for training Bayesian neural networks in Raman and CARS spectroscopies
Log-Gaussian gamma processes for training Bayesian neural networks in Raman and CARS spectroscopies
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Log-Gaussian gamma processes for training Bayesian neural networks in Raman and CARS spectroscopies

Härkönen, Teemu ; Vartiainen, Erik M ; Lensu, Lasse ; Moores, Matthew T ; Roininen, Lassi

Physical chemistry chemical physics : PCCP, 2024-01, Vol.26 (4), p.3389-3399 [Periódico revisado por pares]

England: Royal Society of Chemistry

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10
Superconductivity in bilayer graphene intercalated with alkali and alkaline earth metals
Superconductivity in bilayer graphene intercalated with alkali and alkaline earth metals
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Superconductivity in bilayer graphene intercalated with alkali and alkaline earth metals

Durajski, Artur P ; Skoczylas, Kamil M ; Szczȩśniak, Radosław

Physical chemistry chemical physics : PCCP, 2019-03, Vol.21 (11), p.5925-5931 [Periódico revisado por pares]

England: Royal Society of Chemistry

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