Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artigo
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Ab initio theory of the nonequilibrium adsorption energyLee, Juho ; Yeo, Hyeonwoo ; Lee, Ryong-Gyu ; Kim, Yong-Hoonnpj computational materials, 2024-12, Vol.10 (1), p.60-7 [Periódico revisado por pares]London: Nature Publishing GroupTexto completo disponível |
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2 |
Material Type: Artigo
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Quantum cluster equilibrium theory applied to liquid ammoniaMaya, Josué ; Malloum, Alhadji ; Fifen, Jean Jules ; Dhaouadi, Zoubeida ; Fouda, Henri Paul Ekobena ; Conradie, JeanetJournal of computational chemistry, 2024-06, Vol.45 (15), p.1279-1288 [Periódico revisado por pares]United States: Wiley Subscription Services, IncTexto completo disponível |
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3 |
Material Type: Artigo
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Temperature Effect on Quinoline Adsorption in Dibenzothiophene Presence Using Mesoporous SBA-15 and Zn/SBA-15 MaterialsGarcía-Martínez, Julio César ; Chavez-Esquivel, Gerardo ; González-Brambila, Margarita M. ; León-Santiesteban, Héctor H. ; Colín-Luna, José A.Catalysis letters, 2024-06, Vol.154 (6), p.2790-2808 [Periódico revisado por pares]New York: Springer USTexto completo disponível |
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4 |
Material Type: Artigo
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Changes in the state of matter of KCIO4 to improve thermal and combustion properties of Al/MoO3 nanothermiteChen, Jialin ; Li, Shutao ; Dai, Mengnan ; An, Ming ; Song, Rui ; Chen, Yeqing ; Song, Jiaxing ; Tian, Quanwei ; Zhong, Xiting ; Yan, QiushiBMC chemistry, 2024-05, Vol.18 (1), p.91-91 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
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5 |
Material Type: Artigo
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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) KDabagh, Fatemeh ; Khalili, Fatemeh ; Zarghampour, Aynaz ; Hemmati, Salar ; Hanaee, Jalal ; Rahimpour, Elaheh ; Jouyban, AbolghasemBMC chemistry, 2024-05, Vol.18 (1), p.84-84 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
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6 |
Material Type: Artigo
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Surface phase diagrams from nested samplingYang, Mingrui ; Prtay, Livia B ; Wexler, Robert BPhysical chemistry chemical physics : PCCP, 2024-05, Vol.26 (18), p.13862-13874 [Periódico revisado por pares]England: Royal Society of ChemistryTexto completo disponível |
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7 |
Material Type: Artigo
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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 analysisAmanat, Mehwish ; Shahzadi, Tayyaba ; Riaz, Tauheeda ; Zaib, Maria ; Nawaz, Faisal ; Tawfeek, Ahmed M. ; Khawar, Muhammad Ramzan ; Park, Sung Jea ; Choi, DongwhiNanotechnology reviews (Berlin), 2024-05, Vol.13 (1), p.116132-70 [Periódico revisado por pares]Berlin: De GruyterTexto completo disponível |
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8 |
Material Type: Artigo
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QSPR analysis of anti‐asthmatic drugs using some new distance‐based topological indices: A comparative studyBalasubramaniyan, Deepa ; Chidambaram, Natarajan ; Ravi, Vignesh ; Siddiqui, Muhammad KamranInternational journal of quantum chemistry, 2024-05, Vol.124 (9), p.n/a [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
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9 |
Material Type: Artigo
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DFT insights into LaFeO3 with Mn substitution: A promising path to energy‐efficient magneto‐optical applicationsTariq, Saad ; Alrashdi, Ayash O ; Al Bahir, Areej ; Gilani, S. M. Sohail ; Hamioud, Farida ; Mubarak, A. A. ; Ahmed, Afaq ; Saad H.‐E, M. MusaJournal of computational chemistry, 2024-05, Vol.45 (12), p.843-854 [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
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10 |
Material Type: Artigo
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Enthalpy and Heat Capacity of Cs–Pb Alloys in Solid and Liquid StatesKhairulin, Andrei R. ; Stankus, Sergei V.International journal of thermophysics, 2024-05, Vol.45 (5) [Periódico revisado por pares]New York: Springer USTexto completo disponível |