Repositorios 77

Química 44 Ciencias Exactas 28 Física 27 DFT calculations 11 Quantum chemical calculations 6 Ab initio calculations 4 Crystal structure 4 Farmacia 4 Structure 4 Theoretical calculations 4 Ab-initio calculations 3 Ciencias Informáticas 3 Conformational analysis 3 DFT 3 Ingeniería 3 Mass spectrometry 3 Thin films 3 Vibrational spectroscopy 3 ab initio calculations 3 Arquitectura 2 Ciencias Veterinarias 2 DFT Calculations 2 Density functional calculations 2 Hirshfeld surface analysis 2 Hyperfine interactions 2 IR and Raman spectroscopy 2 NBO calculations 2 Physics 2 Quantum chemistry 2 Quantum-chemical calculations 2