The application of molecular orbital calculations to wood chemistry. III: The chorination of lignin model compoundsELDER, T. J; WORLEY, S. D.Holzforschung. 1985, Vol 39, Num 3, pp 173-179, issn 0018-3830Article

Aspects of organotin chemistryDEWAR, M. J. S; GRADY, G. L; KUHN, D. R et al.Journal of the American Chemical Society. 1984, Vol 106, Num 22, pp 6773-6777, issn 0002-7863Article

MNDO study of the reaction of tetramethylstannane with bromineDEWAR, M. J. S; KUHN, D. R.Journal of the American Chemical Society. 1986, Vol 108, Num 3, pp 551-552, issn 0002-7863Article

Substitution effects in isomeric para and meta derivatives of benzonitrile revealed by UV photoelectron spectroscopyJUSKA, T.Collection of Czechoslovak chemical communications. 1985, Vol 50, Num 3, pp 650-657, issn 0010-0765Article

MNDO STUDY OF THE MECHANISM OF O₂(¹DELTA ) FORMATION BY REACTION OF CL₂ WITH BASIC H₂O₂STORCH DM; DYMEK CJ JR; DAVIS LP et al.1983; JOURNAL OF THE AMERICAN CHEMICAL SOCIETY; ISSN 0002-7863; USA; DA. 1983; VOL. 105; NO 7; PP. 1765-1769; BIBL. 16 REF.Article

MNDO and MNDO/D dipole polarizability of molecules in the ground stateCHANDRA, A. K; BANERJEE, M.Journal of molecular structure. Theochem. 1991, Vol 236, Num 1-2, pp 193-199, issn 0166-1280Article

Theroretical study of the sandwich compounds commo-3,3'-Si(3,1,2-SiC₂B₉H₁₁)₂ and commo-1,1'-Si(1,2,3-SiC₂B₄H₆)₂MAGUIRE, J. A.Organometallics. 1991, Vol 10, Num 9, pp 3150-3155, issn 0276-7333Article

Molecular conformation of polyaniline oligomers: optical absorption and photoemission of three-phenyl moleculesCONWELL, E. M; DUKE, C. B; PATON, A et al.The Journal of chemical physics. 1988, Vol 88, Num 5, pp 3331-3337, issn 0021-9606Article

The application of molecular orbital calculations to wood chemistry. II: The protonation of beta-methyl glucopyranosideELDER, T. J; WORLEY, S. D.Wood and fiber science. 1985, Vol 17, Num 2, pp 199-208, issn 0735-6161Article

MNDO calculation on molecular clusters chosen to model the bonding of oxygen in siliconXIE YING; SNYDER, L; SAHU, S. N et al.Physica status solidi. B. Basic research. 1985, Vol 130, Num 1, pp 333-338, issn 0370-1972Article

MNDO Studies of proton affinity as a probe of electronic structure. II: Boranes and carboranesDEKOCK, R. L; JASPERSE, C. P.Inorganic chemistry (Print). 1983, Vol 22, Num 26, pp 3843-3848, issn 0020-1669Article

Hydrogenation of nitrochlorobenzenes : Influence of the structure of the substrate on the rate and selectivity of the reactionVOLKOVA, T. G; KLYUYEV, M. V.Petroleum chemistry (1991). 1997, Vol 37, Num 4, pp 314-319, issn 0965-5441Article

Crystal lattice energy of ammonium and methanaminium chloridesLUBKOWSKI, J; BLAZEJOWSKI, J.Journal of thermal analysis. 1990, Vol 36, Num 6, pp 2009-2013, issn 0368-4466Article

MNDO mo theoretical study of electronic structure and homolytic dissociation of perfluoroalkanoyl peroxidesSAWADA, H; NAKAYAMA, M; KIKUCHI, O et al.Journal of fluorine chemistry. 1990, Vol 50, Num 3, pp 393-410, issn 0022-1139Article

Optimization of parameters for semiempirical methods. I: MethodSTEWART, J. J. P.Journal of computational chemistry. 1989, Vol 10, Num 2, pp 209-220, issn 0192-8651, 12 p.Article

Conformation andlectronic structure of poly(3,4-diisopropylidenecyclobutene), a cross-conjugated conductive polymerPRANATA, J; DOUGHERTY, D. A.Synthetic metals. 1987, Vol 22, Num 2, pp 171-178, issn 0379-6779Article

Inversion of chalcogen defect levels in silicon: an MNDO studySINGH, R. K; SAHU, S. N; SINGH, V. A et al.Physics letters. A. 1985, Vol 112, Num 3-4, pp 175-177, issn 0375-9601Article

Using hydrogen atoms to terminate zeolite clusters : A semiempirical studyOKULIK, N. B; PIS DIEZ, R; JUBERT, A. H et al.Computational materials science. 2000, Vol 17, Num 1, pp 88-92, issn 0927-0256Article

MNDO study of the [2 + 3] cycloaddition of nitroethene to formonitrile N-oxideBARANSKI, A; CIOSLOWSKI, J.Collection of Czechoslovak chemical communications. 1991, Vol 56, Num 6, pp 1167-1172, issn 0010-0765Article

Selectivities of aromatic methyl metalation. Unexpectedly strong interactions of carbanions with aromatic ringsINAGAKI, S; IMAI, T; MORI, Y et al.Bulletin of the Chemical Society of Japan. 1989, Vol 62, Num 1, pp 79-82, issn 0009-2673, 4 p.Article

MNDO study of ring opening in the succinimidyl radicalDEWAR, M. J. S; OLIVELLA, S.Journal of the Chemical Society. Chemical communications. 1985, Num 5, pp 301-303, issn 0022-4936Article

Small-ring cyclic cumulenes: the structure and energetics of cyclic butatrienes and the synthesis of 1,2,3-cyclononatrieneANGUS, R. O. JR; JOHNSON, R. P.Journal of organic chemistry. 1984, Vol 49, Num 16, pp 2880-2883, issn 0022-3263Article

Anomeric effect and hardnessSANCHITA HATI; DIPANKAR KATTA.Journal of organic chemistry. 1992, Vol 57, Num 22, pp 6056-6057, issn 0022-3263Article

Theoretical studies of aza analogues of platonic hydrocarbons. III, Dodecahedrane and its aza derivativesALKORTA, I; ELGUERO, J; ROZAS, I et al.Journal of molecular structure. Theochem. 1991, Vol 228, pp 47-60, issn 0166-1280Article

Nonlinear susceptibilities of conjugated organic systems : fused-ring oligomersWILLIAMS, G. R. J.Australian journal of physics. 1991, Vol 44, Num 2-3, pp 299-303, issn 0004-9506Article