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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

Origin of the so-called α-effectHUDSON, R. F; HANSELL, D. P; WOLFE, S et al.Journal of the Chemical Society. Chemical communications. 1985, Num 20, pp 1406-1407, issn 0022-4936Article

The role of lone pair interactions in the chemistry of the anomeric centre of monosaccharidesBOX, V. G. S.Heterocycles (Sendai). 1984, Vol 22, Num 4, pp 891-905, issn 0385-5414Article

The electronic structure of DNA related periodic polymersOTTO, P; CLEMENTI, E; LADIK, J et al.The Journal of chemical physics. 1983, Vol 78, Num 7, pp 4547-4551, issn 0021-9606Article

The poly-polyacene family of multi-phase π-network polymers in a valence-bond pictureSEITZ, W. A; KLEIN, D. J; SCHMALZ, T. G et al.Chemical physics letters. 1985, Vol 115, Num 2, pp 139-143, issn 0009-2614Article

A lignification mechanismHWANG, R. H.Journal of theoretical biology. 1985, Vol 116, Num 1, pp 21-44, issn 0022-5193Article

A qualitative determination of the favourable nuclear pathway for the ground state decomposition of formyl-fluorideBACHIER, V; HALEVI, E. A; POLANSKY, O. E et al.Theoretica chimica acta. 1984, Vol 65, Num 2, pp 81-89, issn 0040-5744Article

AN ATTEMPT TO PREDICT THERMAL PERICYCLIC REACTIONS BY A SEQUENTIAL NUCLEOPHILIC SCHEMEITO S; KAKEHI A; TANAKA Y et al.1975; BULL. CHEM. SOC. JAP.; JAP.; DA. 1975; VOL. 48; NO 10; PP. 2855-2860; BIBL. 27 REF.Article

AN INDO STUDY OF THE ISOMERIZATION OF AZIRIDINONETALATY ER; ZANDLER ME.1975; J. HETEROCYCL. CHEM.; U.S.A.; DA. 1975; VOL. 12; NO 1; PP. 151-154; BIBL. 14 REF.Article

NATURE OF THE TRANSITION STATES IN "FORBIDDEN" ELECTROCYCLIC REACTIONSDEWAR MJS; KIRSCHNER S.1974; J. AMER. CHEM. SOC.; U.S.A.; DA. 1974; VOL. 96; NO 16; PP. 5244-5246; BIBL. 20 REF.Article

UN MODELE THEORIQUE DE DESCRIPTION DES HALOGENURES ALCALINS A L'ETAT SOLIDE.MARINELLI F.1974; AO-CNRS-10247; FR.; DA. 1974; PP. 1-75; BIBL. 5 P. 1/2; (THESE DOCT. SCI. PHYS.; PROVENCE)Thesis

UNIFIED THEORY OF THE THERMODYNAMIC AND KINETIC CRITERIA OF AROMATIC CHARACTER IN THE (4N+2) ANNULENESHADDON RC; FUKUNAGA T.1980; TETRAHEDRON LETTERS; GBR; DA. 1980; VOL. 21; NO 13; PP. 1191-1192; BIBL. 9 REF.Article

THEORETICAL EVALUATION OF THE POSSIBILITY OF HYDROGEN RELEASE DURING THE THERMAL ACTIVATION OF HYDRATED MAGNESUIM OXIDE SURFACES.DEROUANE EG; FRIPIAT JG; ANDRE JM et al.1974; CHEM. PHYS. LETTERS; NETHERL.; DA. 1974; VOL. 28; NO 3; PP. 445-448; BIBL. 12 REF.Article

EN RUSSE = ETUDE CHIMICO-QUANTIQUE DES MECANISMES DE LA REACTION D'AMINOLYSE DES ESTERS EN MILIEU APROTIQUEBURSHTEJN K YA; KHURGIN YU N.1974; IZVEST. AKAD. NAUK S.S.S.R., SER. KHIM.; S.S.S.R.; DA. 1974; NO 8; PP. 1687-1692; BIBL. 11 REF.Article

SYMMETRY INDEPENDENT INDICATORS FOR THE PREFERRED ROTATION IN CONCERTED ELECTROCYCLIC REACTIONSWELTIN EE.1974; J. AMER. CHEM. SOC.; U.S.A.; DA. 1974; VOL. 96; NO 10; PP. 3049-3052; BIBL. 8 REF.Article

MECHANISTIC PATHWAYS FOR KETENE DIMERIZATIONJUG K; CHICKOS J.1975; THEOR. CHIM. ACTA; ALLEM.; DA. 1975; VOL. 40; NO 3; PP. 207-219; BIBL. 19 REF.Article

INFLUENCE DES SUBSTITUANTS ALKYLES SUR LA FORCE ACIDE OU BASIQUE DES ALCOOLS ET DES AMINESHUDSON RF; EISENSTEIN O; NGUYEN TRONG ANH et al.1975; TETRAHEDRON; G.B.; DA. 1975; VOL. 31; NO 7; PP. 751-756; ABS. ANGL.; BIBL. 21 REF.Article

THE STEVENS REARRANGEMENT: AN ANTIAROMATIC PERICYCLIC REACTIONDEWAR MJS; RAMSDEN CA.1974; J. CHEM. SOC., PERKINS TRANS., 1; G.B.; DA. 1974; NO 15; PP. 1839-1844; BIBL. 21 REF.Article

Molecular orbital interpretation of thymine/graphite nc-AFM imagesKOMIYAMA, Masaharu; UCHIHASHI, Takayuki; SUGAWARA, Yasuhiro et al.Surface and interface analysis. 2001, Vol 32, Num 1, pp 53-56, issn 0142-2421Conference Paper

A program system for ab initio MO calculations on vector and parallel processing machines. III: Integral reordering and four-index transformationWIEST, R; DEMUYNCK, J; BENARD, M et al.Computer physics communications. 1991, Vol 62, Num 1, pp 107-124, issn 0010-4655, 18 p.Article

Molecular mechanical studies on left- and right-handed B-DNAPATTABIRAMAN, N; RAO, S. N; SCOTT, K et al.Biopolymers. 1987, Vol 26, Num 3, pp 403-414, issn 0006-3525Article

Molecular orbital investigation of dimer formations of bacteriochlorophy a. Model configurations for the primary donor of photosynthesisPLATO, M; TRANKLE, E; LUBITZ, W et al.Chemical physics. 1986, Vol 107, Num 2-3, pp 185-196, issn 0301-0104Article

Substituents at the C13 position of retinal and their influence on the function of bacteriorhodopsinTAVAN, P; SCHULTEN, K; GARTNER, W et al.Biophysical journal. 1985, Vol 47, Num 3, pp 349-355, issn 0006-3495Article

The polarization of an enzyme by an inhibitor. The influence of boronic acid on residues in α-chymotrypsin AHOLMES, R. E; RICHARDS, W. G; LAMBROS, S. A et al.Journal of molecular structure. 1985, Vol 121, pp 273-279, issn 0022-2860Article

Photophysical probes of intramolecular interactions responsible for asymmetric inductionWHITESELL, J. K; YOUNATHAN, J. N; HURST, J. R et al.Journal of organic chemistry. 1985, Vol 50, Num 26, pp 5499-5503, issn 0022-3263Article

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