000 00826nam a2200169Ia 4500
008 170101s1991 xx 000 0 und d
082 _aT 541.2 S11M
100 _aSACHDEVA, Rajni
245 0 _aMolecular orbital and physio-chemical studies of some electron donor acceptor (EDA) complexes relation to structure, energetics and chemical kinetics
250 _aChemistry COBH
260 _aLudhiana
_bPAU
_c1991
300 _a158, 19L
520 _aThe characteristic parameters namely. dipole moment. H-bond energy and bond distance of the H-bonds formed between water and various oxygen and nitrogen donors have been calculated by INDO method. The sequence of donicity on the basis of H-bond energy is:
650 _aELECTRON DONOR -- ACEPTOR COMPLEXES
653 _aELECTRON DONOR -- ACEPTOR COMPLEXES
942 _2ddc
_cT
999 _c97049
_d97049