MNDO SCF-MO CALCULATIONS OF KINETIC ISOTOPE EFFECTS FOR DEHYDROCHLORINATION REACTIONS OF CHLOROALKANESRZEPA HS.1981; J. CHEM. SOC., CHEM. COMMUN.; ISSN 0022-4936; GBR; DA. 1981; NO 18; PP. 939-940; BIBL. 12 REF.Article

THE MECHANISM OF (1,3) OTO N ACYL MIGRATIONS: A MNDO SCF-MO STUDYRZEPA HS.1981; TETRAHEDRON; ISSN 0040-4020; GBR; DA. 1981; VOL. 37; NO 18; PP. 3107-3110; BIBL. 12 REF.Article

THEORETICAL CHEMISTRYRZEPA HS.1981; ANNU. REP. PROG. CHEM., SECT. B; ISSN 0069-3030; GBR; DA. 1981 PUBL. 1982; VOL. 78; PP. 39-50; BIBL. 59 REF.Article

A MNDO SCF-MO STUDY OF THE PHENOL-KETO TAUTOMERISM IN TRICYCLIC (10) ANNULENESRZEPA HS.1982; JOURNAL OF CHEMICAL RESEARCH. SYNOPSES; ISSN 0308-2342; GBR; DA. 1982; NO 12; PP. 324-325; BIBL. 15 REF.Article

THEORETICAL CHEMISTRYRZEPA HS.1981; ANNU. REP. PROG. CHEM. SECT. B; ISSN 0069-3030; GBR; DA. 1981; VOL. 77; PP. 15-26; BIBL. 89 REF.Article

GROUND STATES OF MOLECULES. XXXXV. MNDO RESULTS FOR MOLECULES CONTAINING BERYLLIUM.DEWAR MJS; RZEPA HS.1978; J. AMER. CHEM. SOC.; U.S.A.; DA. 1978; VOL. 100; NO 3; PP. 777-784; BIBL. 30 REF.Article

GROUND STATES OF MOLECULES. XLII. VIBRATIONAL FREQUENCIES OF ISOTOPICALLY-SUBSTITUTED MOLECULES CALCULATED USING MINDO/3 FORCE CONSTANTS.DEWAR MJS; RZEPA HS.1977; J. MOLEC. STRUCT.; NETHERL.; DA. 1977; VOL. 40; NO 1; PP. 145-149; BIBL. 8 REF.Article

GROUND STATES OF MOLECULES. LIII: MNDO CALCULATIONS FOR MOLECULES CONTAINING CHLORINEDEWAR MJS; RZEPA HS.1983; JOURNAL OF COMPUTATIONAL CHEMISTRY; ISSN 0192-8651; USA; DA. 1983; VOL. 4; NO 2; PP. 158-169; BIBL. 24 REF.Article

MNDO SCF-MO CALCULATIONS OF EQUILIBRIUM ISOTOPE EFFECTSSMADAR GABBAY; RZEPA HS.1982; FARADAY TRANS-2; ISSN 0300-9238; GBR; DA. 1982; VOL. 78; NO 4; PP. 671-677; BIBL. 15 REF.Article

CALCULATIONS OF ELECTRON AFFINITIES USING THE MNDO SEMIEMPIRICAL SCF-MO METHOD.DEWAR MJS; RZEPA HS.1978; J. AMER. CHEM. SOC.; U.S.A.; DA. 1978; VOL. 100; NO 3; PP. 784-790; BIBL. 44 REF.Article

HETEROAROMATIC HYDROGEN EXCHANGE REACTIONS. IX. ACID CATALYSED DECARBOXYLATION OF INDOLE-3-CARBOXYLIC ACIDS.CHALLIS BC; RZEPA HS.1977; J. CHEM. SOC., PERKIN TRANS., 2; G.B.; DA. 1977; NO 3; PP. 281-286; BIBL. 19 REF.Article

GROUND STATES OF MOLECULES. LII: A MNDO SCF-MO STUDY OF THE COORDINATION OF BERYLLIUM-INDENYL AND -FLUORENYL COMPLEXESDEWAR MJS; RZEPA HS.1979; INORG. CHEM.; USA; DA. 1979; VOL. 18; NO 3; PP. 602-605; BIBL. 20 REF.Article

GROUND STATES OF MOLECULES. XL. MNDO RESULTS FOR MOLECULES CONTAINING FLUORINE.DEWAR MJS; RZEPA HS.1978; J. AMER. CHEM. SOC.; U.S.A.; DA. 1978; VOL. 100; NO 1; PP. 58-67; BIBL. 27 REF.Article

GASEOUS IONS. IV. MINDO/3 CALCULATIONS FOR SOME SIMPLE ORGANIC CATIONS AND FOR THEIR HYDROGEN ELIMINATION REACTIONS.DEWAR MJS; RZEPA HS.1977; J. AMER. CHEM. SOC.; U.S.A.; DA. 1977; VOL. 99; NO 23; PP. 7432-7439; BIBL. 32 REF.Article

HETEROAROMATIC HYDROGEN EXCHANGE REACTIONS. VIII. THE IONISATION OF 1,3-DIMETHYLINDOLIN-2-ONECHALLIS BC; RZEPA HS.1975; J. CHEM. SOC., PERKINS TRANS., 2; G.B.; DA. 1975; NO 15; PP. 1822-1826; BIBL. 18 REF.Article

THE MECHANISM OF DIAZO-COUPLING TO INDOLES AND THE EFFECT OF STERIC HINDRANCE ON THE RATE-LIMITING STEPCHALLIS BC; RZEPA HS.1975; J. CHEM. SOC., PERKIN TRANS., 2; G.B.; DA. 1975; NO 11; PP. 1209-1217; BIBL. 34 REF.Article

A MNDO SCF-MO THEORETICAL STUDY OF THE MECHANISM OF (1,2) MIGRATIONS IN FREE RADICALS AS A MODEL FOR COENZYME B₁₂ MEDIATED REARRANGEMENT REACTIONSRUSSELL JJ; RZEPA HS; WIDDOWSON DA et al.1983; JOURNAL OF THE CHEMICAL SOCIETY. CHEMICAL COMMUNICATIONS; ISSN 0022-4936; GBR; DA. 1983; NO 11; PP. 625-627; BIBL. 12 REF.Article

ROTATIONAL ISOMERISM BETWEEN THE E AND Z FORMS OF O-SUBSTITUTED BENZO-N-METHYL HYDROXAMIC ACIDS IN STRONG ACIDLOBO AM; PRABHAKAR S; TAVARES MR et al.1981; TETRAHEDRON LETT.; ISSN 0040-4039; GBR; DA. 1981; VOL. 22; NO 31; PP. 3007-3008; BIBL. 9 REF.Article

MNDO STUDY OF TRANSIENT SPECIES: THE IR SPECTRUM OF BENZYNEDEWAR MJS; FORD GP; RZEPA HS et al.1979; J. MOLEC. STRUCT.; NLD; DA. 1979; VOL. 51; NO 2; PP. 275-279; BIBL. 19 REF.Article

THE REGIOSPECIFIC ALKYLATION OF AMIDES. MNDO SCF-MO CALCULATIONSCHALLIS BC; ILEY JN; RZEPA HS et al.1983; C.S. PERKIN TRANSACTIONS 2; ISSN 0300-9580; GBR; DA. 1983; NO 7; PP. 1037-1041; BIBL. 16 REF.Article

ASSIGMENT OF THE STRUCTURE OF DIHYDRODAPHNINE DIACETATE BY NUCLEAR OVERHAUSER EFFECT DIFFERENCE SPECTROSCOPYNEUHAUS D; RZEPA HS; SHEPPARD RN et al.1981; TETRAHEDRON LETT.; ISSN 0040-4039; GBR; DA. 1981; VOL. 22; NO 30; PP. 2933-2936; BIBL. 9 REF.Article

QUADRATIC POTENTIAL FUNCTIONS FOR THE BORON TRIHALIDESRAFALKO JJ; RZEPA HS; SWANSON BI et al.1979; J. MOLEC. SPECTROSC.; USA; DA. 1979; VOL. 75; NO 3; PP. 363-367; BIBL. 23 REF.Article

GROUND STATES OF MOLECULES. XLIX: MINDO/3 STUDY OF THE RETRO-DIELS-ALDER REACTION OF CYCLOHEXENEDEWAR MJS; OLIVELLA S; RZEPA HS et al.1978; J. AMER. CHEM. SOC.; USA; DA. 1978; VOL. 100; NO 18; PP. 5650-5659; BIBL. 53 REF.Article

AN MNDO STUDY OF THE STRUCTURES; VIBRATIONAL FREQUENCIES, AND IONIZATION ENERGIES OF THE FIRST FIVE POLY-YNES.DEWAR MJS; FORD GP; RZEPA HS et al.1977; CHEM. PHYS. LETTERS; NETHERL.; DA. 1977; VOL. 50; NO 2; PP. 262-265; BIBL. 17 REF.Article

MNDO PARAMETERS FOR THIRD PERIOD ELEMENTS.DEWAR MJS; MCKEE ML; RZEPA HS et al.1978; J. AMER. CHEM. SOC.; USA; DA. 1978; VOL. 100; NO 11; PP. 3607; BIBL. 10 REF.Article