Computational and Theoretical Chemistry
SCOPUS (2011-2023)SCIE-ISI
2210-271X
Cơ quản chủ quản: Elsevier , Elsevier BV
Lĩnh vực:
Physical and Theoretical ChemistryBiochemistryCondensed Matter Physics
Các bài báo tiêu biểu
Revisiting the solvation enthalpies and free energies of the proton and electron in various solvents
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Theoretical investigation of stereochemistry and solvent influence on antioxidant activity of ferulic acid
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Nitrogen-doped (6,0) carbon nanotubes: A comparative DFT study based on surface reactivity descriptors
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DFT and TD-DFT investigations of metal-free dye sensitizers for solar cells: Effects of electron donors and π-conjugated linker
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Thermodynamical aspect of radical scavenging activity of alizarin and alizarin red S. Theoretical comparative study
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Probing the geometric, optical, and magnetic properties of 3d transition-metal endohedral Ge12M (M=Sc–Ni) clusters
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Computer-aided design of molecularly imprinted polymers for recognition of atrazine
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