DFT-based analysis of the effects of porphin substitution on the electronic and optical properties of C60 fullerene.

A-site cation engineering in lead-free halide double perovskites A2AgSbBr6 (A = Na, K, Rb): a comprehensive first-principles study.

Mechanistic basis of G595R-mediated resistance to entrectinib in TRK kinase: a structural-energetic perspective.

Investigation of miscibility, acoustical parameters and molecular interactions in PVA-PVP polymer blends through viscosity, ultrasonic velocity, DFT, and molecular docking approaches.

Effects of Zn substitution on the mechanical and thermal transport properties of calcium silicate hydrate: a molecular dynamics study.

Study of cross-linking conversion effect on mechanical and thermomechanical properties of h-BNNS reinforced epoxy nanocomposites part II: molecular dynamics simulation and experimental approach.

DFT-based analysis of the effects of porphin substitution on the electronic and optical properties of C60 fullerene.

A-site cation engineering in lead-free halide double perovskites A2AgSbBr6 (A = Na, K, Rb): a comprehensive first-principles study.

Mechanistic basis of G595R-mediated resistance to entrectinib in TRK kinase: a structural-energetic perspective.

Investigation of miscibility, acoustical parameters and molecular interactions in PVA-PVP polymer blends through viscosity, ultrasonic velocity, DFT, and molecular docking approaches.

Effects of Zn substitution on the mechanical and thermal transport properties of calcium silicate hydrate: a molecular dynamics study.

Study of cross-linking conversion effect on mechanical and thermomechanical properties of h-BNNS reinforced epoxy nanocomposites part II: molecular dynamics simulation and experimental approach.