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

Possible C₂₀ isomers containing 4/6 rings. An AMI investigation of the stability of three 4/6 cages and of their hydrogenated analoguesSILAGHI-DUMITRESCU, I; HAIDUC, I.Fullerene science and technology. 1999, Vol 7, Num 1, pp 17-24, issn 1064-122XArticle

Complex formation between sensitizing dyes and stabilizers: A possible contributing factor in supersensitizationSAHYUN, M. R. V.The Journal of imaging science and technology. 2000, Vol 44, Num 3, pp 229-234, issn 1062-3701Article

Stone-Wales rearrangement as the double olefin-carbene 1,2-CC bond shift. Denied role of triplet biradicalsOSAWA, E; SLANINA, Z; HONDA, K et al.Fullerene science and technology. 1998, Vol 6, Num 2, pp 259-270, issn 1064-122XArticle

Structures and stabilities of hydrofullerenes. Completion of a tetrahedral fused quadruple crown structure and a double crown structure at C₆₀H₃₆CLARE, B. W; KEPERT, D. L.Journal of molecular structure. Theochem. 1994, Vol 304, Num 3, pp 181-189, issn 0166-1280Article

The electrostatic potential in the semiempirical molecular orbital approximationCUMMINS, P. L; GREADY, J. E.Chemical physics letters. 1994, Vol 225, Num 1-3, pp 11-17, issn 0009-2614Article

Molecular orbital study of the ring expansion of cyclobutylidenylcarbene to cyclopentyne : thermal formation of a lumomerGILBERT, J. C; KIRSCHNER, S.Tetrahedron letters. 1993, Vol 34, Num 4, pp 599-602, issn 0040-4039Article

On the relative reactivity of carbonyl and iminium ion moietiesAGAMI, C; COUTY, F; HAMON, L et al.Tetrahedron letters. 1992, Vol 33, Num 25, pp 3645-3646, issn 0040-4039Article

Calculation of vibrational frequencies of sulphur compounds using semiempirical molecular orbital methods (AM1, PM3, NMDO)FAUSTO, R.Journal of molecular structure. 1994, Vol 323, pp 267-277, issn 0022-2860Article

Etude théorique des cycloadditions dipolaires-1,3. Influence du substituant d'un alcène activé sur le spectre des états de transition et la régiosélectivité de l'addition d'une nitronePASCAL, Y. L; CHANET-RAY, J; VESSIERE, R et al.Tetrahedron (Oxford. Print). 1992, Vol 48, Num 35, pp 7197-7208, issn 0040-4020Article

A comparison of the AM1 and PM3 semiempirical models for evaluating model compounds relevant of catalysis by serine proteasesSCHRÖDER, S; DAGGETT, V; KOLLMAN, P et al.Journal of the American Chemical Society. 1991, Vol 113, Num 23, pp 8922-8925, issn 0002-7863Article

Theoretical studies on the conformation of saccharides. XV, AM1 calculation of relative stabilities and geometries of conformersTVAROSKA, I; CARVER, J. P.Journal of chemical research. Synopses (Print). 1991, Num 1, pp 6-7, issn 0308-2342Article

Stereoelectronic effects on chemoselectivity in the free radical bromination of arylcyclopropanesTANKO, J. M; MAS, R. H; SULEMAN, N. K et al.Journal of the American Chemical Society. 1990, Vol 112, Num 14, pp 5557-5562, issn 0002-7863Article

MDNO and ami study of molecular geometries in excited statesERTL, P.Collection of Czechoslovak chemical communications. 1990, Vol 55, Num 6, pp 1399-1403, issn 0010-0765Article

Étude théorique par la méthode AM1 de la nitration des amines = Theoric study using the AM1 method of amines nitrationPIACENZA, G; RAJZMANN, M; GALLO, R et al.Journal de chimie physique. 1999, Vol 96, Num 4, pp 647-664, issn 0021-7689Article

Computation of an orbital isomer of cyclobutyneDEWAR, M. J. S; GILBERT, J. C; KIRSCHNER, S et al.Journal of the Chemical Society. Chemical communications. 1994, Num 9, pp 1105-1106, issn 0022-4936Article

In quest for planar and pyramidal carbon atom. II: AM1 study of small bridged spiropentanesDODZIUK, H; NOWINSKI, K. S.Journal of molecular structure. Theochem. 1994, Vol 311, pp 97-100, issn 0166-1280Conference Paper

Mechanism of deoxygenation of butyraldehyde by atomic carbonALEMAN, C; VEGA, M. C; TRIGUEROS, P. P et al.Journal of molecular structure. Theochem. 1993, Vol 282, Num 3, pp 247-250, issn 0166-1280Article

Supersonic jet studies of ethoxybenzenes : geometry of their minimum energy conformationsBERNSTEIN, E. R; HOONG-SUN IM; YOUNG, M. A et al.Journal of organic chemistry. 1991, Vol 56, Num 21, pp 6059-6063, issn 0022-3263Article

AM1 calculations of the potential energy surface of the photoisomerization of 1-iminopyridinium ylides to diazepinesAMES, A. E; HALPERN, A. M; RUGGLES, C. J et al.Journal of physical chemistry (1952). 1990, Vol 94, Num 11, pp 4464-4467, issn 0022-3654Article

Evaluation of two possible transition states in intramolecular oxetane/oxolane ring formation based on AM1 calculationsNISHIYAMA, S; YAMAMURA, S; KATO, K et al.Tetrahedron letters. 1990, Vol 31, Num 33, pp 4777-4780, issn 0040-4039Article

Theoretical study of protonation effects in polyaniline oligomersDAVILA, L. Y. A; CALDAS, M. J.Synthetic metals. 2001, Vol 119, Num 1-3, pp 241-242, issn 0379-6779Conference Paper

Comparison of soliton geometry and charge-density wave struture, and band gaps, between odd polyene and symmetrical polymethine cyanine (Brooker) ions and t-polyacetylene : SCF and model Hamiltonian approaches with implication for molecular wires and switchesREIMERS, J. R; CRAW, J. S; WONG, A et al.Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals. 1993, Vol 234-36, pp 51-57, issn 1058-725XConference Paper

Theoretical study of 1-benzoyloxy-4,5-dimethyl-1,2,3-triazole and its corresponding N-acyl isomers using the AM1 methodTHEOCHARIS, A. B; ALEXANDROU, N. E; PAPADOPOULOS, M. G et al.Journal of chemical research. Synopses (Print). 1991, Num 4, pp 104-105, issn 0308-2342Article

Direct derivatization of glyoxal into chiral templates providing complete discrimination between the aldehyde groupsAGAMI, C; COUTY, F; HAMON, L et al.Tetrahedron (Oxford. Print). 1990, Vol 46, Num 20, pp 7003-7010, issn 0040-4020, 8 p.Article