Catálogo de publicaciones - libros

Palabras clave – provistas por la editorial

hydrogen bond; synthon; crystal structure; polymorphism; amino alcohols; quinaldinic acid; fluorine; PDB; hydrogen bonds; HBs; π-hole; counterions; molecular electrostatic potential; AIM; energy decomposition; hydrogen bonding; isotope effects on 13C chemical shifts; tautomerism; hydrogen bond energy; theoretical calculations; fagopyrins; conformation; QTAIM; NCI; NMR; structure determination; supramolecular chemistry; water clusters; natural bond orbitals; natural resonance theory; natural bond orders; Grotthuss proton ordering; water wires; glassy water; quantum cluster equilibrium; carbene; N-heterocyclic carbene; NHC; imidazol-2-ylidene; intermolecular interaction; secondary interaction; organometallic chemistry; DFT; interacting quantum atoms; aromaticity; substituent effect; solvent effect; tautomers; nitro group; amino group; calixarene; SAPT; molecular fragmentation; host–guest complex; non-covalent interactions; spectroscopic signatures; CPMD; PIMD; n/a