INVARIANCE DE LA METHODE CNDO/S RELATIVEMENT AU CHOIX DES FONCTIONS DE BASEGINEJTITE VL; BALYAVICHUS MLZ.1979; TEOR. EKSPER. KHIM.; UKR; DA. 1979; VOL. 15; NO 2; PP. 191-192; BIBL. 9 REF.Article

CALCULATION OF SOME ¹³C NUCLEAR SCREENING CONSTANTS.EBRAHEEM KAK; WEBB GA.1977; ORG. MAGNET. RESON.; G.B.; DA. 1977; VOL. 9; NO 5; PP. 241-247; BIBL. 35 REF.Article

NATURAL ORBITALS OF S-CIS-BUTADIENE AND THEIR RELATION TO PHOTOCHEMICAL CYCLIZATIONDINUR U; HONIG B.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 64; NO 3; PP. 588-592; BIBL. 11 REF.Article

CALCULATION OF SOME NITROGEN NUCLEAR SCREENING CONSTANTS.EBRAHEEM KAK; WEBB GA.1977; ORG. MAGNET. RESON.; G.B.; DA. 1977; VOL. 9; NO 5; PP. 248-252; BIBL. 37 REF.Article

HIGHER-LYING SINGLET STATES OF POLY-N-VINYL-CARBAZOLE: A CNDO/S STUDYBIGELOW RW.1979; J. CHEM. PHYS.; USA; DA. 1979; VOL. 71; NO 2; PP. 1037-1038; BIBL. 14 REF.Article

VIBRONIC COUPLING AND IR INTENSITIESMARCONI G; ORLANDI G; MALPEZZI L et al.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 61; NO 3; PP. 545-547; BIBL. 11 REF.Article

Semiempirical quantum chemical calculation on the chlorophyll-water system and determination of excitonic characteristics of a model chloroplastNATH DATTA, S; PRIYADARSHY, S.Chemical physics letters. 1990, Vol 173, Num 4, pp 360-366, issn 0009-2614Article

THE CNDO/53 CRYSTAL ORBITAL MODEL: DEFINITION AND APPLICATION TO POLYACETYLENEFORD WK; DUKE CB; PATON A et al.1982; JOURNAL OF CHEMICAL PHYSICS; ISSN 0021-9606; USA; DA. 1982; VOL. 77; NO 9; PP. 4564-4572; BIBL. 35 REF.Article

Electronic structure of emeraldine and related moleculesDUKE, C. B; PATON, A; CONWELL, E. M et al.The Journal of chemical physics. 1987, Vol 86, Num 6, pp 3414-3423, issn 0021-9606Article

X-ray photoemission study of a new allotrope of solid selenium (rhombohedral Se consisting of Se₆ ring molecules)TAKAHASHI, T; MURANO, K; NAGATA, K et al.Physical review. B, Condensed matter. 1983, Vol 28, Num 8, pp 4893-4895, issn 0163-1829Article

Zum Circulardichroismus von Disulfidbrücken in Proteinen. II: Vergleichende CNDO/S- und INDO/S-CI-Rechnungen = Dichroïsme circulaire des liaisons disulfures dans les protéines. II. Etude comparative des méthodes CNDO/S et INDO/SCI = Circular dichroism of disulfide bonds in proteins: II: Comparative CNDO/S- and INDO/S-CI methodsSCHLEKER, W; FLEISCHHAUER, J.Zeitschrift für Naturforschung. Teil A : Physik, physikalische Chemie, Kosmophysik. 1987, Vol 42, Num 4, pp 361-366, issn 0340-4811Article

Vibronic activity of e' modes in s-triazineMARCONI, G.Journal of molecular spectroscopy (Print). 1983, Vol 102, Num 1, pp 258-259, issn 0022-2852Article

CIS-DISULFIDES PHOTOELECTRON SPECTRUM OF A 6,7-DITHIABICYCLO (3.2.1.) OCTANEJOERGENSEN FS; MCCABE PH.1983; TETRAHEDRON LETTERS; ISSN 0040-4039; GBR; DA. 1983; VOL. 24; NO 3; PP. 319-322; BIBL. 12 REF.Article

THEORETICAL STUDIES ON PHOTODISSOCIATION OF CARBAZOLE IN HIGH EXCITED TRIPLET STATESPLANELLES J; TOMAS F; MONTANANA R et al.1982; ADV. MOL. RELAX. INTERACT. PROCESSES; ISSN 0165-1919; NLD; DA. 1982; VOL. 24; NO 1; PP. 61-74; BIBL. 23 REF.Article

INTERPRETATION PAR LA METHODE CNDO/S DES SPECTRES ULTRAVIOLETS D'HETEROCYCLES AZOTES ET SOUFRES COMPORTANT UNE DOUBLE LIAISONBOUIN ROUBAUD D; KISTER J; AVIGNON T et al.1982; CAN. J. CHEM.; ISSN 0008-4042; CAN; DA. 1982; VOL. 60; NO 11; PP. 1295-1297; BIBL. 8 REF.Article

CNDO/S METHOD INTERPRETATION OF THE ULTRAVIOLET SPECTRA OF 1-3-DIAZOLE AND 1-3-DIAZINE, I. E. PYRIMIDINE-2-THIONE AND 2-METHYLTHIOPYRIMIDINEBOUIN ROUBAUD D; KISTER J; BOUSCASSE L et al.1981; SPECTROSC. LETT.; ISSN 0038-7010; USA; DA. 1981; VOL. 14; NO 6; PP. 431-439; BIBL. 6 REF.Article

DIRECT ENERGY MINIMIZATION OF EXCITED SINGLET STATESBOUSCASSE L; BOUIN ROUBAUD D; AVIGNON T et al.1981; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1981; VOL. 75; NO 12; PP. 5759-5763; BIBL. 17 REF.Article

CNDO/S CI ROTATIONAL STRENGTH CALCULATIONS FOR (S)-1-METHYLINDANFU MING CHEN; SMITH HE.1980; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1980; VOL. 76; NO 2; PP. 291-293; BIBL. 14 REF.Article

USE OF THE CNDO/S METHOD TO ELUCIDATE THE CONFORMATION OF BENZYLIDENE ANILINEJACQUES P; CHALVET O.1980; J. MOL. STRUCT.; ISSN 0022-2860; NLD; DA. 1980; VOL. 68; PP. 215-225; BIBL. 16 REF.Article

CALCULATIONS OF THE CIRCULAR DICHROISM OF ADENOSINE DERIVATIVES CONSTRAINED IN THE SYN FORMMILES DW; FARMER M; EYRING H et al.1980; PROC. NATL. ACAD. SCI. U.S.A., BIOL. SCI.; USA; DA. 1980; VOL. 77; NO 6; PP. 3398-3502; BIBL. 36 REF.Article

SECOND-ORDER HYPERPOLARIZABILITY OF P-NITROANILINE CALCULATED FROM PERTURBATION THEORY BASED EXPRESSION USING CNDO/S GENERATED ELECTRONIC STATESMORRELL JA; ALBRECHT AC.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 64; NO 1; PP. 46-50; BIBL. 9 REF.Article

AN IMPROVED CNDO/S STUDY OF THE CIRCULAR DICHROISM OF 1-METHYLINDAN IN THE 275-170 NM REGIONBALDWIN BOISCLAIR S; SHILLADY DD.1978; CHEM. PHYS. LETTERS; USA; DA. 1978; VOL. 58; NO 3; PP. 405-408; BIBL. 11 REF.Article

CHIROPTICAL PROPERTIES OF (-)-4-METHYL-4-AZATRICYCLO (4,4,0,0^3,8) DECAN-5-ONE- A LACTAM WITH A NONPLANAR TERTIARY CIS-AMIDE GROUP.MALON P; FRIC I; TICHY M et al.1977; COLLECT. CZECHOSL. CHEM. COMMUNIC.; CZECHSOL.; DA. 1977; VOL. 42; NO 10; PP. 3104-3110; BIBL. 11 REF.Article

CALCULATION OF SOME ¹⁷O NUCLEAR SCREENING CONSTANTS.EBRAHEEM KAK; WEBB GA.1977; J. MAGNET. RESON.; U.S.A.; DA. 1977; VOL. 25; NO 3; PP. 399-411; BIBL. 28 REF.Article

CALCULATIONS OF VIBRONIC MAGNETIC ROTATIONAL STRENGTHS AND OSCILLATOR STRENGTHS IN THE B_U STATE OF BENZENE.ROSENFIELD JS.1977; J. CHEM. PHYS.; U.S.A.; DA. 1977; VOL. 66; NO 3; PP. 921-923; BIBL. 11 REF.Article