TY - RPRT TI - Predicting experimental complexation-induced changes in (1)H NMR chemical shift for complexes between zinc-porphyrins and amines using the ab initio/GIAO-HF methodology. AU - Rosa M Gomila AU - David QuiƱonero AU - Carmen Rotger AU - Carolina Garau AU - Antonio Frontera AU - Pablo Ballester AU - Antonio Costa AU - Pere M DeyƠ PY - 2002 DO - 10.1021/ol0170962 UR - https://pubmed.ncbi.nlm.nih.gov/11820889/ ID - 11820889 ER -