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Category: Chemical Physics Letters

Density Functional Theory Investigation on Structural, Mechanical, Electronic and Vibrational Properties of Heusler Alloys AlXIr<sub>2</sub> (X =Co, Cr, Cu, Fe and Zn)

Density Functional Theory Investigation on Structural, Mechanical, Electronic and Vibrational Properties of Heusler Alloys AlXIr<sub>2</sub> (X =Co, Cr, Cu, Fe and Zn)

Publication date: Available online 16 September 2022Source: Chemical Physics LettersAuthor(s): Ahmet İYİGÖR, Selgin AL, Nihat ARIKAN

Novel fabrication of Ni/Fe<sub>3</sub>O<sub>4</sub> nanorods with Graphene and PANI as additives for enhanced acetone sensing performance at room temperature

Novel fabrication of Ni/Fe<sub>3</sub>O<sub>4</sub> nanorods with Graphene and PANI as additives for enhanced acetone sensing performance at room temperature

Publication date: Available online 14 September 2022Source: Chemical Physics LettersAuthor(s): Dang-Hyok Yoon, A. Sakthisabarimoorthi, Md. Rokon Ud Dowla Biswas

Spectral (FT-IR, FT-Raman, NMR, UV-Vis), Electronic Structure (DFT, TD-DFT), and Molecular Docking Investigations on 1-((1H-benzo[d]imidazol-1-yl)methyl)urea – A Bioactive Mannich Base System

Spectral (FT-IR, FT-Raman, NMR, UV-Vis), Electronic Structure (DFT, TD-DFT), and Molecular Docking Investigations on 1-((1H-benzo[d]imidazol-1-yl)methyl)urea – A Bioactive Mannich Base System

Publication date: Available online 14 September 2022Source: Chemical Physics LettersAuthor(s): M Sumithra, Jone Pradeepa Susairaj, D Tamilvendan, Boobalan Maria Susai, N Sundaraganesan

Elucidation of a multiple S<sub>3</sub> intermediates model for water oxidation in the oxygen evolving complex of photosystem II. Calcium-assisted concerted O-O bond formation

Elucidation of a multiple S<sub>3</sub> intermediates model for water oxidation in the oxygen evolving complex of photosystem II. Calcium-assisted concerted O-O bond formation

Publication date: Available online 14 September 2022Source: Chemical Physics LettersAuthor(s): Kizashi Yamaguchi, Koichi Miyagawa, Mitsuo Shoji, Hiroshi Isobe, Takashi Kawakami

Self-reaction of C<sub>2</sub>H<sub>5</sub>O<sub>2</sub> and its cross-reaction with HO<sub>2</sub> studied with vacuum ultraviolet photoionization mass spectrometry

Self-reaction of C<sub>2</sub>H<sub>5</sub>O<sub>2</sub> and its cross-reaction with HO<sub>2</sub> studied with vacuum ultraviolet photoionization mass spectrometry

Publication date: November 2022Source: Chemical Physics Letters, Volume 806Author(s): Zuoying Wen, Hao Yue, Yang Zhang, Xiaoxiao Lin, Ziji Ma, Weijun Zhang, Zhandong Wang, Cuihong Zhang, Christa Fittschen, Xiaofeng Tang