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Interactive Chemical Reactivity ExplorationHAAG, Moritz P; VAUCHER, Alain C; BOSSON, Maël et al.ChemPhysChem (Print). 2014, Vol 15, Num 15, pp 3301-3319, issn 1439-4235, 19 p.Article

QUANTUM CHEMISTRY IN BIOMEDICAL SCIENCESWEINSTEIN H ED; GREEN JP ED.1981; ANN. N.Y. ACAD. SCI.; ISSN 0077-8923; USA; DA. 1981; VOL. 367; 552 P.; BIBL. DISSEM.Serial Issue

QUANTUM LOGICS AND CHEMICAL KINETICSIVANOV CI.1981; PHYSICA, A; ISSN 0378-4371; NLD; DA. 1981; VOL. 107; NO 2; PP. 341-359; BIBL. 14 REF.Article

AB-INITIO QUANTUM CHEMICAL CALCULATIONS FOR ENERGETIC POLYMERSTOBIN FL; HARIHARAN PC; KAUFMAN JJ et al.1981; POLYM. PREPR., AM. CHEM. SOC., DIV. POLYM. CHEM.; ISSN 0032-3934; USA; DA. 1981; VOL. 22; NO 1; PP. 244-245Conference Paper

ON THE VALIDITY RANGE OF THE QUALITATIVE THEORY OF CHEMICAL REACTIVITYBASILEVSKY MV; WEINBERG NN.1980; INT. J. QUANTUM CHEM.; ISSN 0020-7608; USA; DA. 1980; VOL. 17; NO 3; PP. 399-413; ABS. FRE/GER; BIBL. 15 REF.Article

APPROXIMATING THE MASTER EQUATION BY FOKKER-PLANCK TYPE EQUATIONS FOR SINGLE-VARIABLE CHEMICAL SYSTEMSGILLESPIE DT.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 72; NO 10; PP. 5363-5370; BIBL. 13 REF.Article

MOLECULAR DYNAMICS STUDIES OF THE ROLE OF DIFFUSION IN CHEMICAL MODELS WITH ABSORBING BOUNDARY STATESBOISSONADE J.1978; PHYS. LETTERS, A; NLD; DA. 1978; VOL. 68; NO 2; PP. 283-285; BIBL. 11 REF.Article

PROBLEME DE L'UTILISATION D'UN MODELE QUANTOMECANIQUE POUR L'ETUDE DE LA SOLVATATION DES IONS DANS CERTAINS SOLVANTS AZOTESIVANOVA EF; KRUGLYAK AI.1978; ZH. FIZ. KHIM.; S.S.S.R.; DA. 1978; VOL. 52; NO 3; PP. 716-717; BIBL. 8 REF.Article

QUANTUM STATISTICAL THEORY OF CHEMICAL REACTIONS. II. TREATMENT OF REACTIONS IN DENSE SYSTEMS. THE CHEMICAL VERSION OF THE ENSKOG DENSE-GAS THEORY.DER R; HABERLANDT R; CZERWON HJ et al.1978; MOLEC. PHYS.; GBR; DA. 1978; VOL. 35; NO 6; PP. 1609-1622; BIBL. 20 REF.Article

PROGRAMME DE CALCUL DES CARACTERISTIQUES QUANTOCHIMIQUES DES MACROMOLECULES PAR LA METHODE DE HUECKEL GENERALISEEGYUL'MALIEV AM.1978; ZH. STRUKT. KHIM.; SUN; DA. 1978; VOL. 19; NO 2; PP. 384-385; BIBL. 4 REF.Article

CERTAINS PROBLEMES DE CHIMIE ORGANIQUE PHYSIQUEBELETSKAYA IP.1977; ZH. VSESOJUZ. KHIM. OBSHCHEST. D.I. MENDELEEVA; S.S.S.R.; DA. 1977; VOL. 22; NO 3; PP. 243-244Article

MODE SPECIFICITY IN UNIMOLECULAR REACTION DYNAMICS: THE HENON-HEILES POTENTIAL ENERGY SURFACEWAITE BA; MILLER WH.1981; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1981; VOL. 74; NO 7; PP. 3910-3915; BIBL. 13 REF.Article

ANALYSE PHYSICO-MATHEMATIQUE DU CONCEPT DE LIAISON CHIMIQUECONSTANCIEL R; DAUDEL R.1981; C.R. SEANCES ACAD. SCI., SER. 2; ISSN 502677; FRA; DA. 1981; VOL. 292; NO 20; PP. 1387-1391; ABS. ENG; BIBL. 21 REF.Article

PERTUBATION THEORY OF SUBSTITUENT EFFECT - MECHANISTIC INTERPRETATION OF THE HAMMETT RHO CONSTANTSPONEC R.1980; CHEM. SCR.; ISSN 0004-2056; SWE; DA. 1980; VOL. 15; NO 3; PP. 117-120; BIBL. 13 REF.Article

QUANTUM FORMULATION OF A MAGNETO-CATALYTIC REACTIONILISCA E; DEBAUCHE M; MOTCHANE JL et al.1980; PHYS. REV. B; ISSN 0163-1829; USA; DA. 1980; VOL. 22; NO 2; PP. 687-701; BIBL. 25 REF.Article

THE PRESENT STATE OF THE THEORY OF CHARGE TRANSFER PROCESSES IN CONDENSED PHASEDOGONADZE RR; KUZNETSOV AM; MARSAGISHVILI TA et al.1980; ELECTROCHIM. ACTA; ISSN 0013-4686; GBR; DA. 1980; VOL. 25; NO 1; PP. 1-28; BIBL. 134 REF.Article

REACTION IN CATALYTIC SYSTEMS INCLUDING ENZYMATIC REACTIONSCLEMENTI E.1979; CHIMIA; CHE; DA. 1979; VOL. 33; NO 1; PP. 22Article

QUANTUM STATISTICAL THEORY OF CHEMICAL REACTIONS. I. GENERAL FORMULATION AND LOWEST-ORDER RESULTS.CZERWON HJ; DER R; HABERLANDT R et al.1977; MOLEC. PHYS.; G.B.; DA. 1977; VOL. 33; NO 6; PP. 1743-1756; BIBL. 27 REF.Article

THE TRUNCATED KULLBACK STATISTIC AS AN OBJECTIVE FUNCTION FOR FITTING PARTIALLY KNOWN PROBABILITY VECTORS.JONES WE; MATINOPOULOS G; WASSON JS et al.1977; J. COMPUT. PHYS.; U.S.A.; DA. 1977; VOL. 23; NO 4; PP. 446-451; BIBL. 17 REF.Article

INTERACTIONS INTERMOLECULAIRES ET CHEMINS PREFERES DE LA REACTIONGOLOVANOV IB; VOL'KENSHTEJN MV.1976; DOKL. AKAD. NAUK S.S.S.R.; S.S.S.R.; DA. 1976; VOL. 230; NO 1; PP. 128-131; BIBL. 10 REF.Article

SUR LA THEORIE DU COEFFICIENT DE RECOMBINAISON HETEROGENE DES ATOMESSHAJTAN KV.1976; VEST. MOSKOV. UNIV., 2; S.S.S.R.; DA. 1976; VOL. 31; NO 4; PP. 407-412; ABS. ANGL.; BIBL. 22 REF.Article

ABSTRACTS - PLENARY LECTURES, INVITED PAPERS AND CONTRIBUTED POSTERS: ICQC UPPSALA 82/4TH INTERNATIONAL CONGRESS IN QUANTUM CHEMISTRY, UPPSALA, JUNE 13-20, 19821982; ICQC UPPSALA 82. INTERNATIONAL CONGRESS IN QUANTUM CHEMISTRY. 4/1982-06-13/UPPSALA; SWE; UPPSALA: UNIVERSITY OF UPPSALA, QUANTUM CHEMISTRY INSTITUTE; DA. 1982; NON PAGINE; 30 CMConference Proceedings

APPLICATION DE LA METHODE DES ORBITALES MOLECULAIRES A LA CATALYSEBERAN S; ZAGRADNIK R.1977; KINET. I KATALIZ; S.S.S.R.; DA. 1977; VOL. 18; NO 2; PP. 359-379; BIBL. 3 P.Article

A Density-Based Adaptive Quantum Mechanical/Molecular Mechanical MethodWALLER, Mark P; KUMBHAR, Sadhana; YANG, Jack et al.ChemPhysChem (Print). 2014, Vol 15, Num 15, pp 3218-3225, issn 1439-4235, 8 p.Article

Coupled-Cluster Interaction Energies for 200-Atom Host-Guest SystemsANDREJIC, Milica; RYDE, Ulf; MATA, Ricardo A et al.ChemPhysChem (Print). 2014, Vol 15, Num 15, pp 3270-3281, issn 1439-4235, 12 p.Article

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