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La théorie de la catalyse par les polyèdres comme base de synthèse des catalyseurs industriels. Distinction des types d'interaction des orbitales du tétraèdre [AlO4] avec la molécule de C2H4 par la méthode de la théorie des groupesKOLESNIKOV, I. M; PINCHUK, V. V.Žurnal fizičeskoj himii. 1984, Vol 58, Num 6, pp 1370-1373, issn 0044-4537Article

On the origin of redox series of coordination compoundsVLCEK, A. A.Revue de chimie minérale. 1983, Vol 20, Num 4-5, pp 612-627, issn 0035-1032Article

Continuous symmetry measures of irreducible representations: application to molecular orbitalsALEMANY, Pere; CASANOVA, David; ALVAREZ, Santiago et al.PCCP. Physical chemistry chemical physics (Print). 2012, Vol 14, Num 33, pp 11816-11823, issn 1463-9076, 8 p.Article

The origin of dips for the graphene-based DNA sequencing deviceCHO, Yeonchoo; SEUNG KYU MIN; WOO YOUN KIM et al.PCCP. Physical chemistry chemical physics (Print). 2011, Vol 13, Num 32, pp 14293-14296, issn 1463-9076, 4 p.Article

Effects of node of wave function photochemical reactions of organic molecules. IINAGAOKA, S.-I; NAGASHIMA, U.Journal of physical chemistry (1952). 1991, Vol 95, Num 10, pp 4006-4008, issn 0022-3654Article

Modelling of HfO2 film deposition from Hf(MMP)4YANO, T; KAGATSUME, A; FUJIMOTO, T et al.Proceedings - Electrochemical Society. 2003, pp 437-442, issn 0161-6374, isbn 1-56677-396-2, 6 p.Conference Paper

Etudes expérimentale et théorique de réactions organométalliques = Theoretical and experimental study of organometallic reactionIngold, Florent; Braunstein, Pierre; Dedieu, Alain et al.1993, 150 p.Thesis

Stereochemically active or inactive lone pair electrons in some six-coordinate, group 15 halidesWHEELER, R. A; PAVAN KUMAR, P. N. V.Journal of the American Chemical Society. 1992, Vol 114, Num 12, pp 4776-4784, issn 0002-7863Article

Singlet―Triplet and Triplet―Triplet Transitions of Asphaltene PAHs by Molecular Orbital CalculationsRUIZ-MORALES, Yosadara; MULLINS, Oliver C.Energy & fuels. 2013, Vol 27, Num SEPOCT, pp 5017-5028, issn 0887-0624, 12 p.Article

Synthèse et propriétés mésomorphes de dérivés du triptycène: épitaxygènes = Synthesis and Mesomorphic Properties of Triptycene Derivatives: EpitaxygensNorvez, Sophie; Simon, Jacques.1991, 243 p.Thesis

STABLE CONFORMATIONS OF HISTAMINE BY EMPIRICAL METHOD.MAHADEVAPPA KUMBAR.1975; J. THEOR. BIOL.; U.S.A.; DA. 1975; VOL. 53; NO 2; PP. 333-340; BIBL. 20 REF.Article

AN ORBITAL INTERACTION RATIONALE FOR ORGANIC MOLECULES AND REACTIONSFUKUI K.1975; ISRAEL J. CHEM.; ISRAEL; DA. 1975; VOL. 14; PP. 1-10; BIBL. 1 P. 1/2; (INT. CONGR. PURE APPL. CHEM. I.U.P.A.C. 25; JERUSALEM; 1975)Conference Paper

ENERGY BANDS AND ELECTRONIC DELOCALIZATION IN THE SUGAR-PHOSPHATE BACKBONE OF DNASUHAI S.1974; BIOPOLYMERS; U.S.A.; DA. 1974; VOL. 13; NO 9; PP. 1739-1745; BIBL. 12REF.Article

QUANTUM MECHANICAL STUDY OF INTERACTIONS BETWEEN NUCLEIC ACID BASESDANILOV VI; ZHELTOVSKY NV; KUDRITSKAYA ZG et al.1974; STUD. BIOPHYS.; ALLEM.; DA. 1974; VOL. 43; NO 3; PP. 201-216; ABS. RUSSE; BIBL. 1P.1/2Article

QUANTUM-MECHANICAL STUDIES OF ENVIRONMENTAL EFFECTS ON BIOMOLECULES. II. HYDRATION SITES IN PURINES AND PYRIMIDINES = ETUDES PAR LA MECANIQUE QUANTIQUE DES EFFETS DE L'ENVIRONNEMENT SUR LES BIOMOLECULES. II. SITES D'HYDRATATION DANS LES PURINES ET LES PYRIMIDINESPORT GNJ; PULLMAN A.1973; F.E.B.S. LETTERS; NETHERL.; DA. 1973; VOL. 31; NO 1; PP. 70-74; BIBL. 8 REF.Serial Issue

HMO-ANALYSE ZU DEN STRUKTUR-WIRKUNGSBEZIEHUNGEN VON SEDATIVA UND HYPNOTIKA UND DIE ANALYSE POTENTIELLER SEDATIVA IN FORM VON HOMOLOGVERBINDUNGEN = ANALYSE PAR LES ORBITES MOLECULAIRES DE HUECKEL DES RELATIONS ENTRE LA STRUCTURE ET L'ACTIVITE DES SEDATIFS ET DES HYPNOTIQUES ET ANALYSE DES SEDATIFS EVENTUELS SOUS FORME DE COMPOSES HOMOLOGUESSCHULTZ OE; REIMERDES EH.1973; ARZNEIMITTEL-FORSCH.; DTSCH.; DA. 1973; VOL. 23; NO 6; PP. 776-778; ABS. ANGL.; BIBL. 42REF.Serial Issue

CONFORMATIONAL ANALYSIS OF THE GLYCOSAMINOGLYCANS. II. BOND-ANGLE STUDIES, TORSIONAL POTENTIAL, AND STERIC MAP FOR THE BETA -D-(1->3) LINKAGE.POTENZONE R JR; HOPFINGER AJ.1976; CARBOHYD. RES.; NETHERL.; DA. 1976; VOL. 46; NO 1; PP. 67-73; BIBL. 17 REF.Article

A MOLECULAR ORBITAL STUDY OF THE ROLE OF BH5 IN THE HYDROLYSIS OF BH4-PEPPERBERG IM; HALGREN TA; LIPSCOMB WN et al.1976; J. AMER. CHEM. SOC.; U.S.A.; DA. 1976; VOL. 98; NO 12; PP. 3442-3451; BIBL. 58 REF.Article

SYN<->ANTI TRANSCONFORMATIONS IN PYRIMIDINE NUCLEOTIDES: A QUANTUM-MECHANICAL STUDY.LESPINASSE JN; BROCH H; CORNILLON R et al.1975; STUD. BIOPHYS.; ALLEM.; DA. 1975; VOL. 49; NO 3; PP. 227-232; BIBL. 13 REF.Article

ALTERNANT MOLECULAR-ORBITAL EXCITATIONS BY THE GENERATOR-COORDINATE METHOD IN THE ELECTRON GAS.LASKOWSKI B; VAN LEUVEN P; CALAIS JL et al.1975; PHYSICA A; PAYS-BAS; DA. 1975; VOL. 80; NO 6; PP. 561-574; BIBL. 24 REF.Article

CONFORMATION OF HISTAMINE DERIVATIVES. I. APPLICATION OF MOLECULAR ORBITAL CALCULATIONS AND NUCLEAR MAGNETIC RESONANCE SPECTROSCOPYGANELLIN CR; PEPPER ES; PORT GNJ et al.1973; J. MEDICIN CHEM.; U.S.A.; DA. 1973; VOL. 16; NO 6; PP. 610-616; BIBL. 26REF.Serial Issue

MOLECULAR ORBITAL STUDIES ON THE CONFORMATION OF PHOSPHOLIPIDS. II. PREFERRED CONFORMATIONS OF HYDROCARBON CHAINS AND MOLECULAR ORGANIZATION IN BIOMEMBRANES.GUPTA SP; GOVIL G; MISHRA RK et al.1975; J. THEOR. BIOL.; U.S.A.; DA. 1975; VOL. 51; NO 1; PP. 13-34; BIBL. 24 REF.Article

QUANTUM MECHANICAL STUDY ON THE CONFORMATIONAL PROPERTIES OF ANTIHISTAMINIC DRUGS = ETUDE MECANIQUE QUANTIQUE DES PROPRIETES DE CONFORMATION DES MEDICAMENTS ANTIHISTAMINIQUESPULLMANN B; COURRIERE P; BERTHOD H et al.1975; MOLEC. PHARMACOL.; U.S.A.; DA. 1975; VOL. 11; NO 3; PP. 268-279; BIBL. 1 P. 1/2Article

MOLECULAR ORBITAL CALCULATIONS ON THE CONFORMATION OF POLYPEPTIDES AND PROTEINS. XI. CONFORMATIONAL STUDIES ON "TRIPEPTIDE" MODELSMAIGRET B; PULLMAN B.1974; THEOR. CHIM. ACTA; ALLEM.; DA. 1974; VOL. 35; NO 2; PP. 113-128; BIBL. 22REF.Article

NUCLEOTIDES: RIGID OR FLEXIBLEBERTHOD H; PULLMAN B.1973; F.E.B.S. LETTERS; NETHERL.; DA. 1973; VOL. 30; NO 2; PP. 231-235; BIBL. 18 REF.Serial Issue

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