Works matching IS 1432881X AND DT 2024 AND VI 143 AND IP 7
Results: 8
Properties of Ti<sub>2</sub>CO<sub>2</sub> and Ti<sub>2</sub>CO<sub>2</sub>/G heterostructures as anodes of sodium-ion batteries by first-principles study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 7, p. 1, doi. 10.1007/s00214-024-03136-7
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Aminolysis of O-methyl-N-methylcarbamate as a model for the production of polyureas. a DFT study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 7, p. 1, doi. 10.1007/s00214-024-03135-8
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Comparison of various core electron treatments for studying the properties of II-VI quantum dots and their bulk counterparts: a DFT study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 7, p. 1, doi. 10.1007/s00214-024-03134-9
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Energy calculations for sodium vs. potassium on a prokaryotic voltage-gated sodium channel: a quantum-chemical study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 7, p. 1, doi. 10.1007/s00214-024-03132-x
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Transformation to a geminal basis and stationary conditions for the exact wave function therein.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 7, p. 1, doi. 10.1007/s00214-024-03131-y
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On the Spin-Coupled description of the pi system of the cyclopentadienyl anion.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 7, p. 1, doi. 10.1007/s00214-024-03130-z
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Molecular design and energetic properties of 4H, 8H difurazano [3,4-b; 3′, 4′-e] pyrazine derivatives.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 7, p. 1, doi. 10.1007/s00214-024-03128-7
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Structure and properties of 4a,5,7a, 8-tetrahydro-4H-imidazolo [4,5-b] [1, 2, 5] oxadiazolo [3,4-e] pyrazine-6 (7H)-ketone based energetic derivatives.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 7, p. 1, doi. 10.1007/s00214-024-03127-8
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- Article