publication venue for
- Determination of precise harmonic force constants for alanine polypeptides. 818:125-129. 2007
- SCMEH-MO calculations on lanthanide systems V. A comparison of DFT and SCMEH-MO methods on Nd(CO)(6). 425:25-28. 1998
- Reaction graphs for rearrangements of pentagonal-bipyramidal complexes. 389:265-277. 1997
- Generalizations of the Stone-Wales rearrangement for cage compounds, including fullerenes. 363:291-301. 1996
- Perfect pairing, natural orbitals and relation between first- and second-order density matrices. 358:151-158. 1995
- EXCITATION-SPECTRA FOR DEGENERATE REARRANGEMENTS. 341:157-164. 1995
- TETRAHEDRAL-SYMMETRY TETRAHYDROFULLERENES. 338:11-23. 1995
- DENSITY-FUNCTIONAL STUDY OF THE STRUCTURE AND SOME DECOMPOSITION REACTIONS OF THE DINITRAMIDE ANION N(NO2)(2)(-). 106:235-240. 1993
- COMPUTATIONAL ANALYSIS OF THE DINITRAMINE AND CHLORINE DERIVATIVES OF BENZENE AND S-TETRAZINE. 94:155-170. 1992
- GENERALIZED HUCKEL-MOBIUS RULE. 91:307-315. 1992
- QUANTUM-MECHANICAL AND COMPUTATIONAL ASPECTS OF THE CONJUGATED-CIRCUIT MODEL. 75:63-89. 1991
- ANOMALOUS ENERGY EFFECTS ASSOCIATED WITH THE PRESENCE OF AZA NITROGENS AND NITRO SUBSTITUENTS IN SOME STRAINED SYSTEMS. 66:193-200. 1990
- PASCAL RECURRENCE ALGORITHM FOR KEKULE-STRUCTURE COUNTS OF BENZENOID AND CORONOID HYDROCARBONS. 65:135-142. 1990
- A COMPUTATIONAL STUDY OF THE STRUCTURES AND ELECTROSTATIC POTENTIALS OF SOME AZINES AND NITROAZINES. 56:95-108. 1989
- VARIATIONAL LOCALIZED-SITE CLUSTER EXPANSIONS .16. EXCITATIONS. 54:275-285. 1989
- The reaction of electrophiles with models of iron-iron hydrogenase: A switch in regioselectivity 2006