Application of molecular models to electronic structure calculations of defects in oxide crystals. I: Parametrization of the modified INDO methodSHLUGER, A.Theoretica chimica acta. 1985, Vol 66, Num 6, pp 355-363, issn 0040-5744Article

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

Some INDO parameterised Mo calculations of cobalt nuclear shielding in some diamagnetic hexacoordinate cobalt(III) complexesLAMPHUN, B. N; WEBB, G. A.Journal of molecular structure. 1983, Vol 104, Num 1-2, pp 191-196, issn 0022-2860Article

A method for the calculation of improved band gaps in the crystal orbital formalismBÖHM, M. C.Solid state communications. 1983, Vol 46, Num 9, pp 709-712, issn 0038-1098Article

Conformation of 2-aminofluorene-modified DNABROYDE, S; HINGERTY, B.Biopolymers. 1983, Vol 22, Num 11, pp 2423-2441, issn 0006-3525Article

Electron paramagnetic resonance and INDO-MO studies of 2-methylbutane, 3-methylpentane and 3-methylhexane cations produced in several halocarbon matrices γ-irradiated at 77 KOHTA, N; SHIOTANI, M; ICHIKAWA, T et al.Journal of the Chemical Society. Faraday transactions. 1991, Vol 87, Num 24, pp 3869-3874Article

Theoretical reactivity of tolylene-2,4-diisocyanate and tolylene-2,6-diisocyanate, and structures of oligomers contained in the products of conversion of tolylene-2,4-diisocyanate into urethane and biuret derivativesCZERWINSKI, W; CIEMNIAK, G.Die Angewandte makromolekulare Chemie. 1985, Vol 134, pp 23-35, issn 0003-3146Article

The electron spin resonance spectrum of γ-irradiated deoxyribonucleic acid: a novel interpretation based on molecular orbital calculations and computer simulationsFAUCITANO, A; MELE, A; BUTTAFAVA, A et al.Perkin transactions. 2. 1985, Num 3, pp 329-332, issn 0300-9580Article

Fragmentation rates of aromatic radical anions and the π^*-σ^* orbital crossing pointVILLAR, H. O; CASTRO, E. A; ROSSI, R. A et al.Zeitschrift für Naturforschung. Teil A : Physik, physikalische Chemie, Kosmophysik. 1984, Vol 39, Num 1, pp 49-54, issn 0340-4811Article

Quantum-chemical calculations of ²⁹Si chemical shifts in zeolitesMALKIN, V. G; ZHIDOMIROV, G. M.Zeolites. 1990, Vol 10, Num 3, pp 207-209, issn 0144-2449Article

Theoretical INDO investigation of the electronic structure of aluminum clustersFANTUCCI, P; PACCHIONI, G.Physica status solidi. B. Basic research. 1989, Vol 153, Num 1, pp 193-205, issn 0370-1972, 13 p.Article

Neighbourstrand interactions in one-dimensional crystal orbital calculations on organometallic polymers. The tetrathiosquarato nickel(II) systemBOHM, M. C.Physica, B + C. 1984, Vol 124, Num 3, pp 327-351, issn 0378-4363Article

AN MO CALCULATION OF THE REACTION PATH OF A SYMMETRY-DISFAVORED 1,3-SIGMATROPIC REARRANGEMENT.MINATO T; INAGAKI S; FUJIMOTO H et al.1977; BULL. CHEM. SOC. JAP.; JAP.; DA. 1977; VOL. 50; NO 7; PP. 1651-1656; BIBL. 14 REF.Article

KRITISCHE ANALYSE GENAEHERTER LCAO-MO-METHODEN. II: ZUM INVARIANZPROBLEM BEI DIATOMIC-INDO-VERFAHREN = ANALYSE CRITIQUE DES METHODES APPROCHEES LCAO-MO. II. LE PROBLEME D'INVARIANCE DANS LE PROCEDE INDO DIATOMIQUEBIRNER P; REINHOLD J.1979; WISSENSCH. Z. KARL-MARX-UNIV. LEIPZIG, MATH.-NATURWISSENSCH. REIHE; DDR; DA. 1979; VOL. 28; NO 6; PP. 641-645; BIBL. 11 REF.Article

THE NONPLANAR PEPTIDE UNIT. IV: GEOMETRY AND NONPLANAR DISTORSIONS OF THE CIS-PEPTIDE UNITKOLASKAR AS; SARATHY KP.1980; BIOPOLYMERS; USA; DA. 1980; VOL. 19; NO 7; PP. 1345-1355; BIBL. 25 REF.Article

E.S.R. STUDIES OF FREE RADICALS DERIVED FROM REACTION OF OH WITH URACIL AND THYMINEPLANINIC J.1980; INT. J. RADIAT. BIOL. RELAT. STUD. PHYS. CHEM. MED.; ISSN 0020-7616; GBR; DA. 1980; VOL. 38; NO 6; PP. 651-659; ABS. FRE/GER; BIBL. 18 REF.Article

THE (12)ANNULENE ANION RADICALSTEVENSON GR; CONCEPCION R; REITER RC et al.1983; JOURNAL OF ORGANIC CHEMISTRY; ISSN 0022-3263; USA; DA. 1983; VOL. 48; NO 16; PP. 2777-2778; BIBL. DISSEM.Article

Charge transport parameters of HBC at different temperaturesKIRKPATRICK, J; MARCON, V; KREMER, K et al.Physica status solidi. B. Basic research. 2008, Vol 245, Num 5, pp 835-838, issn 0370-1972, 4 p.Conference Paper

Calculation of chemical shielding in transition metal compounds by the FPT-CNDO/INDO method. ⁹⁵Mo shielding in molbybdate and thiomolybdate [MoO_nS_4-n]^2- anionsXIULAN XIE; ZHIPING LIU; HANQIN LIU et al.Journal of magnetic resonance. Series A (Print). 1993, Vol 102, Num 3, pp 351-353, issn 1064-1858Article

Many-body diagrammatic treatment of electronic g-tensorBISKUPIC, S; KVASNICKA, V.Czechoslovak journal of physics. 1989, Vol 39, Num 9, pp 975-990, issn 0011-4626, 16 p.Article

Electronic structure, geometry, and energetics of carbanion and carbocation of [1.1] ferrocenophane: an INDO studyWALEH, A; CHER, M. L; LOEW, G. H et al.Theoretica chimica acta. 1984, Vol 65, Num 3, pp 167-177, issn 0040-5744Article

The structure of the 1,1-difluoroethylene radical anion and the factors determining the hyperfine interaction with ¹⁹FSCHHEGOLEVA, L. N; BILKIS, I. I; SCHASTNEV, P. V et al.Chemical physics letters. 1984, Vol 104, Num 4, pp 348-352, issn 0009-2614Article

Solution polymerization of N-tert-alkylacrylamides catalyzed by ZnCl₂. I: Study of the structure of complexesZURAKOWSKA-ORSZAGH, J; KAIM, A.Journal of polymer science. Polymer letters edition. 1984, Vol 22, Num 12, pp 649-657, issn 0360-6384Article

Atomic and molecular orbital electronegativity models based on the transition state and transition operator approachesSCHMIDT, P. C; BÖHM, M. C.Berichte der Bunsengesellschaft für Physikalische Chemie. 1983, Vol 87, Num 10, pp 925-932, issn 0005-9021Article

Substituent effects on proton affinities: through bonds or through space mechanism?CATALAN, J; PEREZ, P; ELGUERO, J et al.Heterocycles (Sendai). 1983, Vol 20, Num 9, pp 1717-1720, issn 0385-5414Article