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Various states of water species in an anion exchange membrane characterized by Raman spectroscopy under controlled temperature and humidity
Various states of water species in an anion exchange membrane characterized by Raman spectroscopy under controlled temperature and humidity
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Various states of water species in an anion exchange membrane characterized by Raman spectroscopy under controlled temperature and humidity

Wakolo, Solomon Wekesa ; Tryk, Donald A ; Nishiyama, Hiromichi ; Miyatake, Kenji ; Iiyama, Akihiro ; Inukai, Junji

Physical chemistry chemical physics : PCCP, 2024-01, Vol.26 (3), p.1658-167 [Periódico revisado por pares]

England: Royal Society of Chemistry

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2
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
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DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science

Teale, Andrew M ; Helgaker, Trygve ; Savin, Andreas ; Adamo, Carlo ; Aradi, Bálint ; Arbuznikov, Alexei V ; Ayers, Paul W ; Baerends, Evert Jan ; Barone, Vincenzo ; Calaminici, Patrizia ; Cancès, Eric ; Carter, Emily A ; Chattaraj, Pratim Kumar ; Chermette, Henry ; Ciofini, Ilaria ; Crawford, T. Daniel ; De Proft, Frank ; Dobson, John F ; Draxl, Claudia ; Frauenheim, Thomas ; Fromager, Emmanuel ; Fuentealba, Patricio ; Gagliardi, Laura ; Galli, Giulia ; Gao, Jiali ; Geerlings, Paul ; Gidopoulos, Nikitas ; Gill, Peter M. W ; Gori-Giorgi, Paola ; Görling, Andreas ; Gould, Tim ; Grimme, Stefan ; Gritsenko, Oleg ; Jensen, Hans Jørgen Aagaard ; Johnson, Erin R ; Jones, Robert O ; Kaupp, Martin ; Köster, Andreas M ; Kronik, Leeor ; Krylov, Anna I ; Kvaal, Simen ; Laestadius, Andre ; Levy, Mel ; Lewin, Mathieu ; Liu, Shubin ; Loos, Pierre-François ; Maitra, Neepa T ; Neese, Frank ; Perdew, John P ; Pernal, Katarzyna ; Pernot, Pascal ; Piecuch, Piotr ; Rebolini, Elisa ; Reining, Lucia ; Romaniello, Pina ; Ruzsinszky, Adrienn ; Salahub, Dennis R ; Scheffler, Matthias ; Schwerdtfeger, Peter ; Staroverov, Viktor N ; Sun, Jianwei ; Tellgren, Erik ; Tozer, David J ; Trickey, Samuel B ; Ullrich, Carsten A ; Vela, Alberto ; Vignale, Giovanni ; Wesolowski, Tomasz A ; Xu, Xin ; Yang, Weitao

Physical chemistry chemical physics : PCCP, 2022-12, Vol.24 (47), p.287-28781 [Periódico revisado por pares]

England: Royal Society of Chemistry

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3
Effect of temperature gradient on quantum transport
Effect of temperature gradient on quantum transport
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Effect of temperature gradient on quantum transport

Bose, Amartya ; Walters, Peter L.

Physical chemistry chemical physics : PCCP, 2022-09, Vol.24 (37) [Periódico revisado por pares]

United States: Royal Society of Chemistry

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4
Structure and diffusive dynamics of aspartate α-decarboxylase (ADC) liganded with d -serine in aqueous solution
Structure and diffusive dynamics of aspartate α-decarboxylase (ADC) liganded with d -serine in aqueous solution
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Structure and diffusive dynamics of aspartate α-decarboxylase (ADC) liganded with d -serine in aqueous solution

Raskar, Tushar ; Niebling, Stephan ; Devos, Juliette M. ; Yorke, Briony A. ; Härtlein, Michael ; Huse, Nils ; Forsyth, V. Trevor ; Seydel, Tilo ; Pearson, Arwen R.

Physical chemistry chemical physics : PCCP, 2022-08, Vol.24 (34), p.20336-20347 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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5
Pericyclic reaction benchmarks: hierarchical computations targeting CCSDT(Q)/CBS and analysis of DFT performance
Pericyclic reaction benchmarks: hierarchical computations targeting CCSDT(Q)/CBS and analysis of DFT performance
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Pericyclic reaction benchmarks: hierarchical computations targeting CCSDT(Q)/CBS and analysis of DFT performance

Vermeeren, Pascal ; Dalla Tiezza, Marco ; Wolf, Mark E ; Lahm, Mitchell E ; Allen, Wesley D ; Schaefer, Henry F ; Hamlin, Trevor A ; Bickelhaupt, F. Matthias

Physical chemistry chemical physics : PCCP, 2022-08, Vol.24 (3), p.1828-1842 [Periódico revisado por pares]

England: Royal Society of Chemistry

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6
Spectroscopic signatures of nonpolarons: the case of diamond
Spectroscopic signatures of nonpolarons: the case of diamond
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Spectroscopic signatures of nonpolarons: the case of diamond

de Abreu, Joao C ; Nery, Jean Paul ; Giantomassi, Matteo ; Gonze, Xavier ; Verstraete, Matthieu J

Physical chemistry chemical physics : PCCP, 2022-05, Vol.24 (2), p.1258-12591 [Periódico revisado por pares]

England: Royal Society of Chemistry

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7
Coordination and thermophysical properties of select trivalent lanthanides in LiCl–KCl
Coordination and thermophysical properties of select trivalent lanthanides in LiCl–KCl
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Coordination and thermophysical properties of select trivalent lanthanides in LiCl–KCl

Fuller, Jon ; Moon, Jeremy ; Zhang, Jing ; Chidambaram, Dev ; An, Qi

Physical chemistry chemical physics : PCCP, 2022-05, Vol.24 (21) [Periódico revisado por pares]

United States: Royal Society of Chemistry

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8
Effects of pore connectivity and tortuosity on the dynamics of fluids confined in sub-nanometer pores
Effects of pore connectivity and tortuosity on the dynamics of fluids confined in sub-nanometer pores
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Effects of pore connectivity and tortuosity on the dynamics of fluids confined in sub-nanometer pores

Gautam, Siddharth ; Cole, David R.

Physical chemistry chemical physics : PCCP, 2022-04, Vol.24 (19) [Periódico revisado por pares]

United States: Royal Society of Chemistry

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9
Microstructural modifications induced in Si + -implanted yttria-stabilised zirconia: a combined RBS-C, XRD and Raman investigation
Microstructural modifications induced in Si + -implanted yttria-stabilised zirconia: a combined RBS-C, XRD and Raman investigation
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Microstructural modifications induced in Si + -implanted yttria-stabilised zirconia: a combined RBS-C, XRD and Raman investigation

Mikšová, Romana ; Malinský, Petr ; Cutroneo, Mariapompea ; Holý, Václav ; Sofer, Zdeněk ; Cajzl, Jakub ; Debelle, Aurélien ; Nowicki, Lech ; Macková, Anna

Physical chemistry chemical physics : PCCP, 2022-03, Vol.24 (10), p.6290-6301 [Periódico revisado por pares]

England: Royal Society of Chemistry

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10
Dynamics of molecular associates in methanol/water mixtures
Dynamics of molecular associates in methanol/water mixtures
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Dynamics of molecular associates in methanol/water mixtures

Zhai, Yanqin ; Luo, Peng ; Waller, Jackson ; Self, Jeffrey L. ; Harriger, Leland W. ; Z, Y. ; Faraone, Antonio

Physical chemistry chemical physics : PCCP, 2021-12, Vol.24 (4) [Periódico revisado por pares]

United States: Royal Society of Chemistry

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