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Lattice thermal conductivity and mechanical properties of the single-layer penta-NiN 2 explored by a deep-learning interatomic potential
Lattice thermal conductivity and mechanical properties of the single-layer penta-NiN 2 explored by a deep-learning interatomic potential
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Lattice thermal conductivity and mechanical properties of the single-layer penta-NiN 2 explored by a deep-learning interatomic potential

Mirchi, Pedram ; Adessi, Christophe ; Merabia, Samy ; Rajabpour, Ali

Physical chemistry chemical physics : PCCP, 2024-05, Vol.26 (19), p.14216-14227 [Periódico revisado por pares]

England: Royal Society of Chemistry

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Diversity of protonated mixed pyrene-water clusters in- vestigated by collision induced dissociation
Diversity of protonated mixed pyrene-water clusters in- vestigated by collision induced dissociation
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Diversity of protonated mixed pyrene-water clusters in- vestigated by collision induced dissociation

Nair, Arya ; Leboucher, Héloïse ; Toucouere, Lorris ; Zamith, Sébastien ; Joblin, Christine ; L'Hermite, Jean-Marc ; Marciniak, Alexandre ; Simon, Aude

Physical chemistry chemical physics : PCCP, 2024-01, Vol.26, p.5947-5961 [Periódico revisado por pares]

Royal Society of Chemistry

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3
Accurate absolute frequency measurement of the S(2) transition in the fundamental band of H 2 near 2.03 μm
Accurate absolute frequency measurement of the S(2) transition in the fundamental band of H 2 near 2.03 μm
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Accurate absolute frequency measurement of the S(2) transition in the fundamental band of H 2 near 2.03 μm

Mondelain, D. ; de Casson, L. Boux ; Fleurbaey, H. ; Kassi, S. ; Campargue, A.

Physical chemistry chemical physics : PCCP, 2023-08, Vol.25 (34), p.22662-22668 [Periódico revisado por pares]

Royal Society of Chemistry

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4
Electron-induced ionization and cationic fragmentations of the isolated molecule of 2,4-imidazolidinedione (Hydantoin) : Study of the relaxing paths thresholds
Electron-induced ionization and cationic fragmentations of the isolated molecule of 2,4-imidazolidinedione (Hydantoin) : Study of the relaxing paths thresholds
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Electron-induced ionization and cationic fragmentations of the isolated molecule of 2,4-imidazolidinedione (Hydantoin) : Study of the relaxing paths thresholds

Champeaux, Jean-Philippe ; Moretto-Capelle, Patrick ; Renoud, Julie ; Polizzi, Laurent ; Faure, Stéphane ; Castex, Daniel ; Gianesin, Michel ; Panader, Eric ; Paquier, Philippe ; Volondat, William ; Salbaing, Thibaud ; Riffaud, Jonathan ; Point, Robinson ; Cafarelli, Pierre ; Sence, Martine

Physical chemistry chemical physics : PCCP, 2023-05, Vol.25 (22), p.15497-15507 [Periódico revisado por pares]

Royal Society of Chemistry

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5
Efficient radiative cooling of tetracene cations C 18 H 12 + : absolute recurrent fluorescence rates as a function of internal energy
Efficient radiative cooling of tetracene cations C 18 H 12 + : absolute recurrent fluorescence rates as a function of internal energy
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Efficient radiative cooling of tetracene cations C 18 H 12 + : absolute recurrent fluorescence rates as a function of internal energy

Bernard, Jérôme ; Ji, MingChao ; Indrajith, Suvasthika ; Stockett, Mark H ; Navarro Navarrete, José E ; Kono, Naoko ; Cederquist, Henrik ; Martin, Serge ; Schmidt, Henning T ; Zettergren, Henning

Physical chemistry chemical physics : PCCP, 2023-04, Vol.25 (15), p.10726-10740 [Periódico revisado por pares]

England: Royal Society of Chemistry

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6
Low-dimensional HfS 2 as SO 2 adsorbent and gas sensor: effect of water and sulfur vacancies
Low-dimensional HfS 2 as SO 2 adsorbent and gas sensor: effect of water and sulfur vacancies
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Low-dimensional HfS 2 as SO 2 adsorbent and gas sensor: effect of water and sulfur vacancies

Bouheddadj, Amina ; Ouahrani, Tarik ; Kanhounnon, Wilfried G. ; Reda, Boufatah M. ; Bedrane, Sumeya ; Badawi, Michael ; Morales-García, Ángel

Physical chemistry chemical physics : PCCP, 2021-10, Vol.23 (41), p.23655-23666 [Periódico revisado por pares]

Royal Society of Chemistry

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7
HD-H+ collisions: new statistical and quantum state-to-state studies
HD-H+ collisions: new statistical and quantum state-to-state studies
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HD-H+ collisions: new statistical and quantum state-to-state studies

Desrousseaux, Benjamin ; Konings, Maarten ; Loreau, Jérôme ; Lique, François

Physical chemistry chemical physics : PCCP, 2021-08, Vol.23 (35), p.19202-19208 [Periódico revisado por pares]

Royal Society of Chemistry

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8
Towards a complete elucidation of the ro-vibrational band structure in the SF 6 infrared spectrum from full quantum-mechanical calculations
Towards a complete elucidation of the ro-vibrational band structure in the SF 6 infrared spectrum from full quantum-mechanical calculations
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Towards a complete elucidation of the ro-vibrational band structure in the SF 6 infrared spectrum from full quantum-mechanical calculations

Rey, Michaël ; Chizhmakova, Iana S. ; Nikitin, Andrei V. ; Tyuterev, Vladimir G.

Physical chemistry chemical physics : PCCP, 2021-06, Vol.23 (21), p.12115-12126 [Periódico revisado por pares]

Royal Society of Chemistry

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9
Cm/Eu induced structural, mechanistic and functional implications for calmodulin
Cm/Eu induced structural, mechanistic and functional implications for calmodulin
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Cm/Eu induced structural, mechanistic and functional implications for calmodulin

Drobot, Björn ; Schmidt, Moritz ; Mochizuki, Yuji ; Abe, Takaya ; Okuwaki, Koji ; Brulfert, Florian ; Falke, Sven ; Samsonov, Sergey A ; Komeiji, Yuto ; Betzel, Christian ; Stumpf, Thorsten ; Raff, Johannes ; Tsushima, Satoru

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (38), p.21213-21222 [Periódico revisado por pares]

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10
The O K -2 V spectrum of CO: the influence of the second core-hole
The O K -2 V spectrum of CO: the influence of the second core-hole
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The O K -2 V spectrum of CO: the influence of the second core-hole

Koulentianos, D ; Carniato, S ; Püttner, R ; Martins, J B ; Travnikova, O ; Marchenko, T ; Journel, L ; Guillemin, R ; Ismail, I ; Céolin, D ; Piancastelli, M N ; Feifel, R ; Simon, M

Physical chemistry chemical physics : PCCP, 2021, Vol.23 (18), p.10780-10790 [Periódico revisado por pares]

England: Royal Society of Chemistry

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