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Refinado por: Base de dados/Biblioteca: METADEX remover Nome da Publicação: Physical Chemistry Chemical Physics : Pccp remover
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1
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
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Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems

Andrade, Xavier ; Strubbe, David ; De Giovannini, Umberto ; Larsen, Ask Hjorth ; Oliveira, Micael J. T ; Alberdi-Rodriguez, Joseba ; Varas, Alejandro ; Theophilou, Iris ; Helbig, Nicole ; Verstraete, Matthieu J ; Stella, Lorenzo ; Nogueira, Fernando ; Aspuru-Guzik, Alán ; Castro, Alberto ; Marques, Miguel A. L ; Rubio, Angel

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (47), p.31371-31396 [Periódico revisado por pares]

England: Royal Society of Chemistry

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2
Efficient evaluation of electrostatic potential with computerized optimized code
Efficient evaluation of electrostatic potential with computerized optimized code
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Efficient evaluation of electrostatic potential with computerized optimized code

Zhang, Jun ; Lu, Tian

Physical chemistry chemical physics : PCCP, 2021-09, Vol.23 (36), p.2323-2328 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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3
Understanding specific ion effects and the Hofmeister series
Understanding specific ion effects and the Hofmeister series
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Understanding specific ion effects and the Hofmeister series

Gregory, Kasimir P ; Elliott, Gareth R ; Robertson, Hayden ; Kumar, Anand ; Wanless, Erica J ; Webber, Grant B ; Craig, Vincent S. J ; Andersson, Gunther G ; Page, Alister J

Physical chemistry chemical physics : PCCP, 2022-06, Vol.24 (21), p.12682-12718 [Periódico revisado por pares]

England: Royal Society of Chemistry

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4
Experimental determination of solvation free energy of protons in non-protic ionic liquids using Raman spectroscopy
Experimental determination of solvation free energy of protons in non-protic ionic liquids using Raman spectroscopy
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Experimental determination of solvation free energy of protons in non-protic ionic liquids using Raman spectroscopy

Rensonnet, Aurelie ; Malherbe, Cedric

Physical chemistry chemical physics : PCCP, 2024-01, Vol.26 (4), p.2936-2944 [Periódico revisado por pares]

England: Royal Society of Chemistry

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5
Carbon nitrides: synthesis and characterization of a new class of functional materials
Carbon nitrides: synthesis and characterization of a new class of functional materials
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Carbon nitrides: synthesis and characterization of a new class of functional materials

Miller, T. S ; Jorge, A. Belen ; Suter, T. M ; Sella, A ; Corà, F ; McMillan, P. F

Physical chemistry chemical physics : PCCP, 2017-06, Vol.19 (24), p.15613-15638 [Periódico revisado por pares]

England

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6
Ellipticity controlled dissociative double ionization of ethane by strong fields
Ellipticity controlled dissociative double ionization of ethane by strong fields
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Ellipticity controlled dissociative double ionization of ethane by strong fields

Basnayake, Gihan ; Hoerner, Paul ; Mignolet, Benoit ; Lee, Mi Kyung ; Lin, Yun Fei ; Winney, Alexander H ; Debrah, Duke A ; Popaj, Leon ; Shi, Xuetao ; Lee, Suk Kyoung ; Schlegel, H. Bernhard ; Remacle, Francoise ; Li, Wen

Physical chemistry chemical physics : PCCP, 2021-10, Vol.23 (41), p.23537-23543 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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7
Automated exploration of the low-energy chemical space with fast quantum chemical methods
Automated exploration of the low-energy chemical space with fast quantum chemical methods
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Automated exploration of the low-energy chemical space with fast quantum chemical methods

Pracht, Philipp ; Bohle, Fabian ; Grimme, Stefan

Physical chemistry chemical physics : PCCP, 2020-04, Vol.22 (14), p.7169-7192 [Periódico revisado por pares]

England: Royal Society of Chemistry

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8
Highly crystalline ZnO film decorated with gold nanospheres for PIERS chemical sensing
Highly crystalline ZnO film decorated with gold nanospheres for PIERS chemical sensing
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Highly crystalline ZnO film decorated with gold nanospheres for PIERS chemical sensing

Barbillon, Grégory ; Noblet, Thomas ; Humbert, Christophe

Physical chemistry chemical physics : PCCP, 2020-09, Vol.22 (37), p.21-214 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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9
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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10
Nonadiabatic quantum dynamics explores non-monotonic photodissociation branching of N2 into the N(4S) + N(2D) and N(4S) + N(2P) product channels
Nonadiabatic quantum dynamics explores non-monotonic photodissociation branching of N2 into the N(4S) + N(2D) and N(4S) + N(2P) product channels
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Nonadiabatic quantum dynamics explores non-monotonic photodissociation branching of N2 into the N(4S) + N(2D) and N(4S) + N(2P) product channels

Gelfand, Natalia ; Komarova, Ksenia ; Remacle, Francoise ; Levine, R D

Physical chemistry chemical physics : PCCP, 2024-01, Vol.26 (4), p.3274-3284 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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