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Theoretical chemistry

Journals

1

1 Heliyon

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Bibliographies

4

1 Anti-gastric cancer activity of 1,2,3-triazolo[4,5-d]pyrimidine hybrids (1,2,3-TPH): QSAR and molecular docking approaches.

2 similarities and differences for atomic and diatomic molecule adsorption on the b-5 type sites of the hcp(101̅6) surfaces of co, os, and ru from dft calculations

3 experimental, dft dimeric modeling and aim study of h-bond-mediated composite vibrational structure of chelidonic acid

4 Time-dependent quantum dynamics of reactive scattering and the calculation of product quantum state distributions — A study of the collinear F+H2(v=0) → HF(v′)+H reaction - Theoretical Chemistry Accounts