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Refinado por: assunto: Physics remover assunto: Physics, Atomic, Molecular & Chemical remover
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Valence and Conduction Band Densities of States of Metal Halide Perovskites: A Combined Experimental–Theoretical Study
Valence and Conduction Band Densities of States of Metal Halide Perovskites: A Combined Experimental–Theoretical Study
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Valence and Conduction Band Densities of States of Metal Halide Perovskites: A Combined Experimental–Theoretical Study

Endres, James ; Egger, David A ; Kulbak, Michael ; Kerner, Ross A ; Zhao, Lianfeng ; Silver, Scott H ; Hodes, Gary ; Rand, Barry P ; Cahen, David ; Kronik, Leeor ; Kahn, Antoine

The journal of physical chemistry letters, 2016-07, Vol.7 (14), p.2722-2729 [Periódico revisado por pares]

United States: American Chemical Society

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2
Near-IR Spectrum of NO(X2Π)–Xe: A Joint Experimental–Theoretical Investigation
Near-IR Spectrum of NO(X2Π)–Xe: A Joint Experimental–Theoretical Investigation
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Near-IR Spectrum of NO(X2Π)–Xe: A Joint Experimental–Theoretical Investigation

Meyer, H ; Kłos, J ; Alexander, M. H

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-11, Vol.117 (46), p.11906-11914 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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3
Furfural adsorption on V2O5 surface: A combined experimental-theoretical study
Furfural adsorption on V2O5 surface: A combined experimental-theoretical study
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Furfural adsorption on V2O5 surface: A combined experimental-theoretical study

Lizana, Ignacio ; Schott, Eduardo ; Saavedra-Torres, Mario ; Hidalgo-Rosa, Yoan ; Pecchi, Gina ; Karelovic, Alejandro ; Zarate, Ximena

Chemical physics letters, 2024-06, Vol.845, p.141288, Article 141288 [Periódico revisado por pares]

Elsevier B.V

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4
The role of magnetite/graphene oxide nano-composite as a high-efficiency adsorbent for removal of phenazopyridine residues from water samples, an experimental/theoretical investigation
The role of magnetite/graphene oxide nano-composite as a high-efficiency adsorbent for removal of phenazopyridine residues from water samples, an experimental/theoretical investigation
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The role of magnetite/graphene oxide nano-composite as a high-efficiency adsorbent for removal of phenazopyridine residues from water samples, an experimental/theoretical investigation

Karimi-Maleh, Hassan ; Shafieizadeh, Marjan ; Taher, Mohammad A. ; Opoku, Francis ; Kiarii, Ephraim Muriithi ; Govender, Poomani Penny ; Ranjbari, Sara ; Rezapour, Morteza ; Orooji, Yasin

Journal of molecular liquids, 2020-01, Vol.298, p.112040, Article 112040 [Periódico revisado por pares]

Elsevier B.V

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5
Experimental, theoretical, computational and spectroscopic analysis in binary liquid mixtures containing 1-propanol and C-1 to C-4 alkyl acetates (T = 298.15–318.15 K): Physicochemical properties and molecular interaction studies
Experimental, theoretical, computational and spectroscopic analysis in binary liquid mixtures containing 1-propanol and C-1 to C-4 alkyl acetates (T = 298.15–318.15 K): Physicochemical properties and molecular interaction studies
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Experimental, theoretical, computational and spectroscopic analysis in binary liquid mixtures containing 1-propanol and C-1 to C-4 alkyl acetates (T = 298.15–318.15 K): Physicochemical properties and molecular interaction studies

Parmar, Deepak ; Wazzan, Nuha ; Kumar, Naveen ; Rani, Manju ; Issaoui, Noureddine

Journal of molecular liquids, 2023-07, Vol.381, p.121829, Article 121829 [Periódico revisado por pares]

Elsevier B.V

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6
Valence shell photoelectron angular distributions and vibrationally resolved spectra of imidazole: A combined experimental–theoretical study
Valence shell photoelectron angular distributions and vibrationally resolved spectra of imidazole: A combined experimental–theoretical study
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Valence shell photoelectron angular distributions and vibrationally resolved spectra of imidazole: A combined experimental–theoretical study

Patanen, M. ; Abid, A. R. ; Pratt, S. T. ; Kivimäki, A. ; Trofimov, A. B. ; Skitnevskaya, A. D. ; Grigoricheva, E. K. ; Gromov, E. V. ; Powis, I. ; Holland, D. M. P.

The Journal of chemical physics, 2021-08, Vol.155 (5), p.054304-054304 [Periódico revisado por pares]

Melville: American Institute of Physics

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7
Elucidating the mechanism of MgB2 initial hydrogenation via a combined experimental-theoretical study
Elucidating the mechanism of MgB2 initial hydrogenation via a combined experimental-theoretical study
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Elucidating the mechanism of MgB2 initial hydrogenation via a combined experimental-theoretical study

Ray, Keith G ; Klebanoff, Leonard E ; Lee, Jonathan R I ; Stavila, Vitalie ; Heo, Tae Wook ; Shea, Patrick ; Baker, Alexander A ; Kang, Shinyoung ; Bagge-Hansen, Michael ; Liu, Yi-Sheng ; White, James L ; Wood, Brandon C

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (34), p.22646-22658 [Periódico revisado por pares]

United States: Royal Society of Chemistry

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8
Investigations on experimental, theoretical spectroscopic, electronic excitations, molecular docking of Sulfaguanidine (SG): An antibiotic drug
Investigations on experimental, theoretical spectroscopic, electronic excitations, molecular docking of Sulfaguanidine (SG): An antibiotic drug
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Investigations on experimental, theoretical spectroscopic, electronic excitations, molecular docking of Sulfaguanidine (SG): An antibiotic drug

Fatima, Aysha ; Singh, Meenakshi ; Singh, Neha ; Savita, Sandhya ; Verma, Indresh ; Siddiqui, Nazia ; Javed, Saleem

Chemical physics letters, 2021-11, Vol.783, p.139049, Article 139049 [Periódico revisado por pares]

Elsevier B.V

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9
Functionalization effect on the corrosion inhibition of novel eco-friendly compounds based on 8-hydroxyquinoline derivatives: Experimental, theoretical and surface treatment
Functionalization effect on the corrosion inhibition of novel eco-friendly compounds based on 8-hydroxyquinoline derivatives: Experimental, theoretical and surface treatment
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Functionalization effect on the corrosion inhibition of novel eco-friendly compounds based on 8-hydroxyquinoline derivatives: Experimental, theoretical and surface treatment

Galai, M. ; Rbaa, M. ; Ouakki, M. ; Dahmani, K. ; Kaya, S. ; Arrousse, N. ; Dkhireche, N. ; Briche, S. ; Lakhrissi, B. ; Ebn Touhami, M.

Chemical physics letters, 2021-08, Vol.776, p.138700, Article 138700 [Periódico revisado por pares]

Elsevier B.V

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10
Synthesis, characterization of novel coumarin dyes as corrosion inhibitors for mild steel in acidic environment: Experimental, theoretical, and biological studies
Synthesis, characterization of novel coumarin dyes as corrosion inhibitors for mild steel in acidic environment: Experimental, theoretical, and biological studies
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Synthesis, characterization of novel coumarin dyes as corrosion inhibitors for mild steel in acidic environment: Experimental, theoretical, and biological studies

Elaryian, Hani M. ; Bedair, Mahmoud A. ; Bedair, Ahmed H. ; Aboushahba, Rabab M. ; Fouda, Abd El-Aziz S.

Journal of molecular liquids, 2022-01, Vol.346, p.118310, Article 118310 [Periódico revisado por pares]

Elsevier B.V

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