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1
Ab initio theory of the nonequilibrium adsorption energy
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Artigo
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Ab initio theory of the nonequilibrium adsorption energy

Lee, Juho ; Yeo, Hyeonwoo ; Lee, Ryong-Gyu ; Kim, Yong-Hoon

npj computational materials, 2024-12, Vol.10 (1), p.60-7 [Periódico revisado por pares]

London: Nature Publishing Group

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2
Changes in the state of matter of KCIO4 to improve thermal and combustion properties of Al/MoO3 nanothermite
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Changes in the state of matter of KCIO4 to improve thermal and combustion properties of Al/MoO3 nanothermite

Chen, Jialin ; Li, Shutao ; Dai, Mengnan ; An, Ming ; Song, Rui ; Chen, Yeqing ; Song, Jiaxing ; Tian, Quanwei ; Zhong, Xiting ; Yan, Qiushi

BMC chemistry, 2024-05, Vol.18 (1), p.91-91 [Periódico revisado por pares]

Cham: Springer International Publishing

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3
Investigation of the solubility and thermodynamics of salicylic acid in 2-propanol and ethylene glycol/propylene glycol binary solvent mixtures at (293.15 to 313.15) K
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Investigation of the solubility and thermodynamics of salicylic acid in 2-propanol and ethylene glycol/propylene glycol binary solvent mixtures at (293.15 to 313.15) K

Dabagh, Fatemeh ; Khalili, Fatemeh ; Zarghampour, Aynaz ; Hemmati, Salar ; Hanaee, Jalal ; Rahimpour, Elaheh ; Jouyban, Abolghasem

BMC chemistry, 2024-05, Vol.18 (1), p.84-84 [Periódico revisado por pares]

Cham: Springer International Publishing

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4
Surface phase diagrams from nested sampling
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Surface phase diagrams from nested sampling

Yang, Mingrui ; Prtay, Livia B ; Wexler, Robert B

Physical chemistry chemical physics : PCCP, 2024-05, Vol.26 (18), p.13862-13874 [Periódico revisado por pares]

England: Royal Society of Chemistry

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5
Enhanced catalytic degradation of amoxicillin by phyto-mediated synthesised ZnO NPs and ZnO-rGO hybrid nanocomposite: Assessment of antioxidant activity, adsorption, and thermodynamic analysis
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Enhanced catalytic degradation of amoxicillin by phyto-mediated synthesised ZnO NPs and ZnO-rGO hybrid nanocomposite: Assessment of antioxidant activity, adsorption, and thermodynamic analysis

Amanat, Mehwish ; Shahzadi, Tayyaba ; Riaz, Tauheeda ; Zaib, Maria ; Nawaz, Faisal ; Tawfeek, Ahmed M. ; Khawar, Muhammad Ramzan ; Park, Sung Jea ; Choi, Dongwhi

Nanotechnology reviews (Berlin), 2024-05, Vol.13 (1), p.116132-70 [Periódico revisado por pares]

Berlin: De Gruyter

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6
Impacts of titanium dioxide nanoparticles on thermal decomposition kinetics of nitrocellulose-based propellant as a bio-derived polymer
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Impacts of titanium dioxide nanoparticles on thermal decomposition kinetics of nitrocellulose-based propellant as a bio-derived polymer

Mirzajani, Vahid ; Nazarpour-Fard, Hamed ; Farhadi, Khalil

Iranian polymer journal, 2024-05, Vol.33 (5), p.699-710 [Periódico revisado por pares]

Berlin/Heidelberg: Springer Berlin Heidelberg

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7
Multidimensional regulation of Ti-Zr-Cr-Mn hydrogen storage alloys via Y partial substitution
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Multidimensional regulation of Ti-Zr-Cr-Mn hydrogen storage alloys via Y partial substitution

Xiu, Haixiang ; Liu, Wanqiang ; Yin, Dongming ; Ding, Nan ; Qiao, Wenfeng ; Zhao, Shaolei ; Liang, Long ; Liu, Cong ; Wang, Shaohua ; Wang, Qingshuang ; Chen, Bingbing ; Wang, Limin ; Cheng, Yong

Nano research, 2024-05, Vol.17 (5), p.4211-4220 [Periódico revisado por pares]

Beijing: Tsinghua University Press

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8
Computing formation enthalpies through an explainable machine learning method: the case of lanthanide orthophosphates solid solutions
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Computing formation enthalpies through an explainable machine learning method: the case of lanthanide orthophosphates solid solutions

Edoardo Di Napoli ; Edoardo Di Napoli ; Xinzhe Wu ; Thomas Bornhake ; Piotr M. Kowalski ; Piotr M. Kowalski ; Piotr M. Kowalski

Frontiers in applied mathematics and statistics, 2024-04, Vol.10 [Periódico revisado por pares]

Frontiers Media S.A

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9
Thermodynamic Assessment of Molten Bix-Sn1−x (x = 0.1 to 0.9) Alloys and Microstructural Characterization of Some Bi-Sn Solder Alloys
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Thermodynamic Assessment of Molten Bix-Sn1−x (x = 0.1 to 0.9) Alloys and Microstructural Characterization of Some Bi-Sn Solder Alloys

Niculescu, Florentina ; Pencea, Ion ; Iacob, Gheorghe ; Ghiţă, Mihai ; Mariana-Mirela Stănescu ; Petrescu, Mircea-Ionuţ ; Niculescu, Emanuel-Laurenţiu ; Buţu, Mihai ; Constantin-Domenic Stăncel ; Şerban, Nicolae ; Roxana-Marina Şolea ; Andrei-Alexandru Ilie

Materials, 2024-04, Vol.17 (7), p.1579 [Periódico revisado por pares]

Basel: MDPI AG

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10
Thermal Energy Storage Using Phase Change Materials in High-Temperature Industrial Applications: Multi-Criteria Selection of the Adequate Material
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Thermal Energy Storage Using Phase Change Materials in High-Temperature Industrial Applications: Multi-Criteria Selection of the Adequate Material

Cabeza, Luisa F ; Martínez, Franklin R ; Borri, Emiliano ; Ushak, Svetlana ; Prieto, Cristina

Materials, 2024-04, Vol.17 (8), p.1878 [Periódico revisado por pares]

Switzerland: MDPI AG

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