ENERGY PARTITIONING IN UNIMOLECULAR DECOMPOSITION. ISOTOPE EFFECTS ON THE KINETIC ENERGY RELEASE IN THE LOSS OF H₂ FROM (CH₂=OH)⁺.RICKARD GJ; COLE NW; CHRISTIE JR et al.1978; J. AMER. CHEM. SOC.; U.S.A.; DA. 1978; VOL. 100; NO 9; PP. 2904-2905; BIBL. 15 REF.Article

A theoretical study of 1-2, 1-3, and 1-4 hydride shifts in the cyclohexyl cationDANNENBERG, J. J; ABRAMS, C; DECORET, C et al.Journal of organic chemistry. 1983, Vol 48, Num 19, pp 3315-3317, issn 0022-3263Article

Does chair cyclo-octatetraene exist?DEWAR, M. J. S; MERZ, K. M. JR.Journal of the Chemical Society. Chemical communications. 1985, Num 6, pp 343-344, issn 0022-4936Article

A MINDO/3 study on the monoelectronic reduction of carbon monoxide. The acetylenediolate dianion as the first member and as the common precursor of all the cyclic oxocarbon dianionsOLIVELLA, S; PERICAS, M. A; SERRATOSA, F et al.Journal of molecular structure. 1983, Vol 105, Num 1-2, pp 91-97, issn 0022-2860Article

Etude quantique de la structure électronique et géométrique des groupes alcoxyle à la surface des zéolitesSENCHENYA, I. N; KAZANSKIJ, V. B.Kinetika i kataliz. 1987, Vol 28, Num 3, pp 566-572, issn 0453-8811Article

The second step of the B_AC2 mechanism for neutral esters: a theoretical studyMARAVER, J. J; MARCOS, E. S; BERTRAN, J et al.Perkin transactions. 2. 1986, Num 8, pp 1323-1325, issn 0300-9580Article

Twisting of dimers on the Si(100) surfaceBRINK, R. S; VERWOERD, W. S.Surface science. 1985, Vol 154, Num 1, pp L203-L206, issn 0039-6028Article

Dihydrogen complexes in siliconDEAK, P; SNYDER, L. C.Radiation effects. 1989, Vol 111-112, Num 1-2, pp 77-81, issn 0033-7579Article

ETUDE QUANTOCHIMIQUE DU MECANISME D'ADDITION D'UN REACTIF NUCLEOPHILE SUR LES COMPOSES CARBONYLESBURSHTEJN K YA; KHURGIN YU I.1977; IZVEST. AKAD. NAUK S.S.S.R., SER. KHIM.; S.S.S.R.; DA. 1977; NO 7; PP. 1494-1497; BIBL. 11 REF.Article

On the possibility of both-sided polyene sequences growth in the dehydrochlorination of PVCSIMON, P; CERNAY, P; VALKO, L et al.European polymer journal. 1989, Vol 25, Num 5, pp 531-533, issn 0014-3057Article

Modified MINDO/3 ¹³C chemical shift calculations for simple hydrocarbonsCHESNUT, D. B; ZHANG, C.Journal of computational chemistry. 1988, Vol 9, Num 4, pp 416-423, issn 0192-8651Article

Interprétation du spectre de vibration de la N-méthyl-N hydroxythiouréeKHARITONOV, YU. YA; SARUKHANOV, M. A; SLIVKO, S. A et al.Žurnal neorganičeskoj himii. 1986, Vol 31, Num 3, pp 593-599, issn 0044-457XArticle

MINDO/3 study of HCl elimination from PVC model compoundsSIMON, P; CERNAY, P; VALKO, L et al.European polymer journal. 1989, Vol 25, Num 3, pp 245-249, issn 0014-3057Article

RING EXPANSION REACTION OF CYCLOPROPYLCARBENE TO CYCLOBUTENESCHOEFFER WW.1980; J. ORG. CHEM.; USA; DA. 1980; VOL. 45; NO 11; PP. 2161-2165; BIBL. 21 REF.Article

APPLICATION OF SEMI-EMPIRICAL CALCULATIONS OF ¹³C CHEMICAL SHIFTS AND ¹J(CH) COUPLING CONSTANTS TO THE ANALYSIS OF CARBONIUM ION STRUCTURESCHEREMISIN AA; SCHASTNEV PV.1980; ORG. MAGN. RESON.; ISSN 0030-4921; GBR; DA. 1980; VOL. 14; NO 5; PP. 327-336; BIBL. 58 REF.Article

MINDO/3 CALCULATIONS ON THE ACID-CATALYZED RING OPENING OF OXAZIRIDINE.GARVEY JF; HASHMALL JA.1978; J. ORG. CHEM.; U.S.A.; DA. 1978; VOL. 43; NO 12; PP. 2380-2383; BIBL. 9 REF.Article

MINDO/3 CALCULATIONS ON THE STABILITY OF CRIEGEE CARBONYL OXIDES.HULL LA.1978; J. ORG. CHEM.; U.S.A.; DA. 1978; VOL. 43; NO 14; PP. 2780-2785; BIBL. 27 REF.Article

SLAB-MINDO calculations on the Si(100) surfaceCRAIG, B. I; SMITH, P. V.Surface science. 1989, Vol 218, Num 2-3, pp 569-579, issn 0039-6028Article

COMPOSES ORGANOHALOGENOLITHIES INSTABLES. 8. EVALUATION THEORIQUE DE LA RESISTANCE DES LIAISON CARBONE-HALOGENE DANS LES CARBANIONS HALOGENESFAUSTOV VI; D'YACHENKO AI; NEFEDOV OM et al.1979; IZV. AKAD. NAUK SSSR, SER. HIM.; ISSN 0002-3353; SUN; DA. 1979; NO 10; PP. 2187-2190; BIBL. 12 REF.Article

MINDO-FORCES CALCULATION OF MOLECULAR GEOMETRIES AND REACTION PATHS.KHALIL SM; MUTHANA SHANSHAL.1977; THEOR. CHIM. ACTA; ALLEM.; DA. 1977; VOL. 46; NO 1; PP. 23-37; BIBL. 36 REF.Article

A COMPARISON OF MOLECULAR ORBITAL METHODS FOR THE ANALYSIS OF THE HE (I) PHOTOELECTRON SPECTRA OF N-ALKENES.KRAUSE DA; TAYLOR JW; FENSKE RF et al.1977; J. ELECTRON SPECTROSC. RELAT. PHENOMENA; NETHERL.; DA. 1977; VOL. 12; NO 3; PP. 265-280; BIBL. 50 REF.Article

COMPOSES ORGANOHALOGENOLITHIES INSTABLES. 7. CALCULS THERMODYNAMIQUES DU MECANISME DE DECOMPOSITION DES COMPOSES ORGANOHALOGENOLITHIESFAUSTOV VI; D'YACHENKO AI; NEFEDOV OM et al.1979; IZV. AKAD. NAUK SSSR, SER. HIM.; ISSN 0002-3353; SUN; DA. 1979; NO 10; PP. 2183-2186; BIBL. 9 REF.Article

MODEL STUDY FOR STEROIDAL D/C RING CLOSURE IN OLEFINIC CYCLIZATION REACTIONS: A MINDO/3 STUDY.CORVERS A; SCHEERS PCH; CASTENMILLER WAM et al.1978; TETRAHEDRON; G.B.; DA. 1978; VOL. 34; NO 4; PP. 457-459; BIBL. 10 REF.Article

IL-22 : A critical mediator in mucosal host defenseAUJLA, S. J; KOLLS, J. K.Journal of molecular medicine (Berlin. Print). 2009, Vol 87, Num 5, pp 451-454, issn 0946-2716, 4 p.Article

SUPERFICIE DE ENERGIA POTENCIAL DE LA REACCION DIELS-ALDER ENTRE EL BUTADIENO Y EL ETILENO = SURFACES D'ENERGIE POTENTIELLE DE LA REACTION DE DIELS ALDER ENTRE LE BUTADIENE ET L'ETHYLENEOLIVA A; FERNANDEZ ALONSO JI; BERTRAN J et al.1979; AN. QUIM.; ESP; DA. 1979; VOL. 75; NO 1; PP. 45-50; ABS. ENG; BIBL. 28 REF.Article