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Issue DateTitleAuthor(s)
1980CNDO and INDO MO calculations of a few properties of rubredoxinsVijaya, S.; Mehrotra, P.K.; Manoharan, P.T.
1974Molecular orbital calculation of structures and spin densities of AsCl3 - and AsF3 -Mehrotra, P.K.; Chandrasekhar, J.; Subramanian, S.; Manoharan, P.T.
1976Mssbauer isomer shift calibration of some high spin ionic complexes of iron with halogen ligands through a CNDO MO calculationVijaya, S.; Mehrotra, P.K.; Manoharan, P.T.
1979NDDO MO calculations - III. Detailed results for molecules containing first-row atomsChandrasekhar, J.; Mehrotra, P.K.; Subramanian, S.; Manoharan, P.T.
1979NDDO MO Calculations - IV. Correlation of k-shell binding energy shiftsChandrasekhar, J.; Mehrotra, P.K.; Subramanian, S.; Manoharan, P.T.
1976NDDO MO calculations - I. Analysis of the methodChandrasekhar, J.; Mehrotra, P.K.; Subramanian, S.; Manoharan, P.T.
1976NDDO MO calculations - II. All-valence non-empirical NDDO MO calculations on PO4 3-, SO4 2-, and ClO4 -Mehrotra, P.K.; Chandrasekhar, J.; Manoharan, P.T.; Subramanian, S.
1979NDDO MO calculations: isotropic hyperfine coupling constants and nuclear spin-spin coupling constantsMehrotra, P.K.; Chandrasekhar, J.; Manoharan, P.T.; Subramanian, S.
1973Optical and magnetic properties and geometry of some d5 ruthenium complexesManoharan, P.T.; Mehrotra, P.K.; Taquikhan, M.M.; Andal, R.K.
1976Semi-empirical molecular orbital calculations on ruthenium(III) and rhodium(III) octahedral complexesMehrotra, P.K.; Manoharan, P.T.