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kw.\*:("METHODE PARISER PARR POPLE")

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INFLUENCIA DEL PH SOBRE LOS ESPECTROS ELECTRONICOS DE DIAMINAS AROMATICAS = INFLUENCE DU PH SUR LES SPECTRES ELECTRONIQUES D'AMINES AROMATIQUESGARCIA MANRIQUE F; MEDEROS A; RODRIGUEZ GONZALEZ A et al.1973; R. SOC. ESP. FIS. QUIM., AN. QUIM.; ESP.; DA. 1973; VOL. 69; NO 3; PP. 305-310; ABS. ANGL.; BIBL. 15 REF.Serial Issue

Photophysics of polystyrene. II: Pariser-Parr-Pople studies of excimer structureBLONSKI, S; SIENICKI, K; HERMAN, A et al.Macromolecules. 1987, Vol 20, Num 2, pp 329-331, issn 0024-9297Article

CONVERGENCE OF THE RAYLEIGH-SCHROEDINGER PERTURBATION EXPANSIONS FOR THE ENERGY LEVELS OF THE PARISER-PARR-POPLE MODEL OF THE BENZENE MOLECULE.PELLEGATTI A; CIZEK J; PALDUS J et al.1974; J. CHEM. PHYS.; U.S.A.; DA. 1974; VOL. 60; NO 12; PP. 4825-4829; BIBL. 21 REF.Article

ESTUDIO TEORICO DE HIDROCARBUROS AROMATICOS NO PLANOS. IV. DIFENILETILENOS. = ETUDE THEORIQUE D'HYDROCARBURES AROMATIQUES NON PLANS. IV. DIPHENYLETHYLENESLARGO CABRERIZO J; PEREZ ROMERO E.1974; AN. QUIM.; ESP.; DA. 1974; VOL. 70; NO 2; PP. 99-102; ABS. ANGL.; BIBL. 10 REF.Article

ETUDE CONFORMATIONNELLE DES FORMES OUVERTES D'UN SPIROPYRANNE BENZOTHIAZOLINIQUE.FERRE Y; VINCENT EJ; METZGER J et al.1974; TETRAHEDRON; G.B.; DA. 1974; VOL. 30; NO 6; PP. 787-792; ABS. ANGL.; BIBL. 31 REF.Article

MAGNETIC CRITERIA FOR AROMATICITY.BENASSI R; LAZZERETTI P; TADDEI F et al.1975; J. PHYS. CHEM.; U.S.A.; DA. 1975; VOL. 79; NO 8; PP. 848-851; BIBL. 43 REF.Article

CALCULATIONS ON QUINONOID COMPOUNDS. I. THE QUINODODIMETHIDESGLEICHER GJ; NEWKIRK DD; ARNOLD JC et al.1973; J. AMER. CHEM. SOC.; U.S.A.; DA. 1973; VOL. 95; NO 8; PP. 2526-2531; BIBL. 27 REF.Serial Issue

USE OF SEMIEMPIRICAL MODELS FOR CALCULATION OF B TERMS IN MCD SPECTRA. II. THE PARISER-PARR-POPLE (PPP) MODEL: A CONSEQUENCE OF THE PAIRING SYMMETRY IN PI SYSTEMS WITH ALTERNANT SKELETONS.MICHL J.1974; J. CHEM. PHYS.; U.S.A.; DA. 1974; VOL. 61; NO 10; PP. 4270-4273; BIBL. 21 REF.Article

ESTUDIO TEORICO DE HIDROCARBUROS AROMATICOS NO PLANOS. III. BIFENILO. = ETUDE THEORIQUE DES HYDROCARBURES AROMATIQUES NON PLANS. IV. BIPHENYLELARGO CABRERIZO J; PEREZ ROMERO E.1974; R. SOC. ESP. FIS. QUIM., AN. QUIM.; ESP.; DA. 1974; VOL. 70; NO 1; PP. 3-6; ABS. ANGL.; BIBL. 22 REF.Article

ANALYSE DES SPECTRES D'ABSORPTION ET DE LA STRUCTURE ELECTRONIQUE DES COMPOSES ORGANIQUES DES ELEMENTS DU GROUPE IVB PAR UNE METHODE SEMI-EMPIRIQUE LCAO-MO-SCFZASYADKO OA; FROLOV YU L; VITKOVSKAYA NM et al.1974; ZH. STRUKT. KHIM.; S.S.S.R.; DA. 1974; VOL. 15; NO 4; PP. 633-638; BIBL. 5 REF.Article

PROCEDE D'EVALUATION DES VALEURS DES INTEGRALES DE RESONANCE ET DE COULOMB DANS LA METHODE DE HUECKEL. I. UTILISATION DU PROBLEME INVERSE DE L'ANALYSE SPECTRALE EN CHIMIE QUANTIQUESTANKEVICH IV.1974; ZH. FIZ. KHIM.; S.S.S.R.; DA. 1974; VOL. 48; NO 8; PP. 1897-1901; BIBL. 6 REF.Article

ELECTRONIC SPECTRA OF PHENOLATE AND NAPHTHOLATE ANIONSHOSHI T; YOSHINO J; HAYASHI K et al.1973; Z. PHYS. CHEM., FRANKFURT; DTSCH.; DA. 1973; VOL. 83; NO 1-4; PP. 31-40; BIBL. 10 REF.Serial Issue

FORME DES EQUATIONS DE LA METHODE DES ORBITALES MOLECULAIRES. II. EFFET DES INTERACTIONS DES ELECTRONSGYUL'MALIEV AM; STANKEVICH IV.1973; ZH. FIZ. KHIM.; S.S.S.R.; DA. 1973; VOL. 47; NO 1; PP. 22-23; BIBL. 2 REF.Serial Issue

EVALUATION OF EMPIRICAL PARAMETERS FROM SPECTROSCOPIE DATA BY THE LEAST SQUARES METHODKARWOWSKI J.1972; ACTA PHYS. POLON., A; POLOGNE; DA. 1972; VOL. 42; NO 6; PP. 647-653; BIBL. 17 REF.Serial Issue

ON THE CHOICE OF PARAMETERS IN PARISER-PARR-POPLE METHOD WITH RETENTION OF BONDED DIFFERENTIAL OVERLAPACHARYA U; KAR AK; SANNIGRAPHI AB et al.1972; INDIAN J. CHEM.; INDIA; DA. 1972; VOL. 10; NO 6; PP. 615-618; BIBL. 24 REF.Serial Issue

SEMI-EMPIRICAL PARAMETERS IN PI -ELECTRON SYSTEMS. XIV. PARAMETERS FOR THE METHOXY AND ETHYL GROUPS.HOJER G; MEZA HOJER S; GAYTAN F et al.1977; ACTA CHEM. SCAND., B; DANEM.; DA. 1977; VOL. 31; NO 6; PP. 445-452; BIBL. 34 REF.Article

COMPARAISON DES DONNEES CINETIQUES ET DES CALCULS QUANTOCHIMIQUES DE LA DECOMPOSITION INTRAMOLECULAIRE DE LA LIAISON O-CARBOXYAMIDENECHAEV PP; MUKHINA OA; KOSOBUTSKIJ VA et al.1977; IZVEST. AKAD. NAUK S.S.S.R., SER. KHIM.; S.S.S.R.; DA. 1977; NO 8; PP. 1750-1755; BIBL. 22 REF.Article

QUANTENCHEMISCHE REAKTIVITAETSUNTERSUCHUNGEN AN AMINO-PHENYL-OXADIAZOLEN. = ETUDES DE REACTIVITE QUANTOCHIMIQUES SUR AMINO-PHENYL-OXADIAZOLESHABERDITZL W; BARTEL HG; WESTPHAL G et al.1976; Z. CHEM.; DTSCH.; DA. 1976; VOL. 16; NO 8; PP. 325-327; BIBL. 14 REF.Article

SCF-MO CALCULATION OF THE GROUND STATE PROPERTIES OF THE BASE COMPONENTS OF NUCLEIC ACIDS.GUPTA SP; SINGH P.1975; INDIAN J. CHEM.; INDIA; DA. 1975; VOL. 13; NO 7; PP. 668-672; BIBL. 25 REF.Article

STRUCTURE ELECTRONIQUE DES POLYENES ALPHA ,OMEGA -SUBSTITUESSIMKIN B YA; MINKIN VI; OSIPOV OA et al.1975; ZH. STRUKT. KHIM.; S.S.S.R.; DA. 1975; VOL. 16; NO 1; PP. 117-122; BIBL. 22 REF.Article

ON THE EXCITED-STATE GEOMETRY OF THE ADENINE RESIDUE AS REVEALED BY A PRERESONANCE RAMAN EFFECT.TSUBOI M; HIRAKAWA AY; NISHIMURA Y et al.1974; J. RAMAN SPECTROSC.; NETHERL.; DA. 1974; VOL. 2; NO 6; PP. 609-621; BIBL. 15 REF.Article

SPECTROSCOPIC PROPERTIES OF POLYENES. II. THE VACUUM ULTRAVIOLET SPECTRA OF CIS- AND TRANS-1,3,5-HEXATRIENE.GAVIN RM JR; RICE SA.1974; J. CHEM. PHYS.; U.S.A.; DA. 1974; VOL. 60; NO 8; PP. 3231-3237; BIBL. 12 REF.Article

THE ELECTRONIC SPECTRUM OF 1,2,3-TRIMETHOXYACRIDINE-N-OXIDE.VLASSA M; IONESCU M; FABIAN J et al.1974; REV. ROUMAINE CHIM.; ROUMAN.; DA. 1974; VOL. 19; NO 4; PP. 665-669; BIBL. 8 REF.Article

THEORETICAL CONFORMATIONAL ANALYSIS OF ORGANIC MOLECULES.GOLEBIEWSKI A; PARCZEWSKI A.1974; CHEM. REV.; U.S.A.; DA. 1974; VOL. 74; NO 5; PP. 519-530; BIBL. 2 P.Article

ETUDE PAR DES METHODES SEMI-EMPIRIQUES DE LA CHIMIE THEORIQUE DANS LA SERIE DES PYRAZOLONES. VIII. SPECTRES ELECTRONIQUES D'ARYLAZO-PYRAZOLONES SUBSTITUEES.ARRIAU J; CAMPILLO JP; DESCHAMPS J et al.1974; TETRAHEDRON; G.B.; DA. 1974; VOL. 30; NO 11; PP. 1353-1363; ABS. ANGL.; BIBL. 14 REF.Article

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