AM1 Ab initio Análisis conformacional Análisis topológico Análogo de nucleósido Bader's AIM theory Charge transfer Densidad de carga Effect of steric closeness of a heteroatom on the direct 13 C- 1 H spin-spin coupling constants Enlace de hidr´ógeno Hydrogen bonding Intermolecular interactions NBO Potencial Electrostático Molecular Puntos críticos Quantum-chemical calculations, INDO-RPA method alkane derivative article binding affinity energy transfer hydrogen hydrogen bond methane derivative molecular interaction proton transport reaction analysis unclassified drug vibration Átomos en moléculas (AIM)