(1,3)-SIGMATROPIC SHIFTS FOR 5-X-BICYCLO (2.1.0) PENT-2-ENES. AN EVALUATION OF THE PSEUDOPERICYCLIC MODELSNYDER JP; HALGREN TA.1980; J. AMER. CHEM. SOC.; USA; DA. 1980; VOL. 102; NO 8; PP. 2861-2863; BIBL. 20 REF.Article

THE SYNCHRONOUS-TRANSIT METHOD FOR DETERMINING REACTION PATHWAYS AND LOCATING MOLECULAR TRANSITION STATES.HALGREN TA; LIPSCOMB WN.1977; CHEM. PHYS. LETTERS; NETHERL.; DA. 1977; VOL. 49; NO 2; PP. 224-232; BIBL. 28 REF.Article

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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

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

COMPUTATIONAL EVIDENCE FOR A STABLE INTERMEDIATE IN THE REARRANGEMENT OF 1,2-C₂B₄H₆ TO 1,6-C₂B₄H₆HALGREN TA; PEPPERBERG IM; LIPSCOMB WN et al.1975; J. AMER. CHEM. SOC.; U.S.A.; DA. 1975; VOL. 97; NO 5; PP. 1248-1250; BIBL. 7 REF.Article

EXTENDED TOPOLOGICAL RULES FOR BORON HYDRIDES. I. STRUCTURES AND RELATIVES ENERGIES FOR THE TRANSIENT BORON HYDRIDES B₂H₄, B₃H₇, B₃H₉, B₄H₈, AND B₄H₁₂.PEPPERBERG IM; HALGREN TA; LIPSCOMB WN et al.1977; INORG. CHEM.; U.S.A.; DA. 1977; VOL. 16; NO 2; PP. 363-379; BIBL. 47 REF.Article

APPARENT OCTET RULE VIOLATIONS, FRACTIONALITY, AND THE INTERPRETATION OF LOCALIZED MOLECULAR ORBITAL STRUCTURES. POLARIZATION AND HYBRIDIZATION FUNCTIONS IN CHEMICAL BONDING.HALGREN TA; BROWN LD; KLEIER DA et al.1977; J. AMER. CHEM. SOC.; U.S.A.; DA. 1977; VOL. 99; NO 21; PP. 6793-6806; BIBL. 1 P. 1/2Article

(1,3)-SIGMATROPIC SHIFTS OF ALLYLAMINE AND ALLYLBORANE: FLEXIBLE MODELS FOR POSSIBLE PSEUDOPERICYCLIC REACTIONSHENRIKSEN U; SNYDER JP; HALGREN TA et al.1981; J. ORG. CHEM.; ISSN 0022-3263; USA; DA. 1981; VOL. 46; NO 18; PP. 3767-3768; BIBL. 11 REF.Article

LOCALIZED MOLECULAR ORBITALS FOR POLYATOMIC MOLECULES. IV. LARGE BORON HYDRIDES.DIXON DA; KLEIER DA; HALGREN TA et al.1976; J. AMER. CHEM. SOC.; U.S.A.; DA. 1976; VOL. 98; NO 8; PP. 2086-2096; BIBL. 33 REF.Article

LOCALIZED ORBITALS IN LARGE BORON HYDRIDES. B₁₆H₂₀ AND RELATED MOLECULES.DIXON DA; KLEIER DA; HALGREN TA et al.1974; J. AMER. CHEM. SOC.; U.S.A.; DA. 1974; VOL. 96; NO 7; PP. 2293-2295; BIBL. 15 REF.Article

THE QUESTION OF FLUXIONAL BEHAVIOR IN B₃H₈^- AND B₅H₁₁.PEPPERBERG IM; DIXON DA; LIPSCOMB WN et al.1978; INORG. CHEM.; U.S.A.; DA. 1978; VOL. 17; NO 3; PP. 587-593; BIBL. 22 REF.Article

THEORETICAL STUDIES OF THERMAL REARRANGEMENTS. METHYLENECYCLOPROPANE AND BARRIERS TO INTERNAL ROTATION IN BIRADICALS.DIXON DA; FOSTER R; HALGREN TA et al.1978; J. AMER. CHEM. SOC.; U.S.A.; DA. 1978; VOL. 100; NO 5; PP. 1359-1365; BIBL. 38 REF.Article

LOCALIZED ORBITALS FOR POLYATOMIC MOLECULES. V. THE CLOSO BORON HYDRIDES B_NH_N^2- AND CARBORANES C₂B_N-2H^NDIXON DA; KLEIER DA; HALGREN TA et al.1977; J. AMER. CHEM. SOC.; U.S.A.; DA. 1977; VOL. 99; NO 19; PP. 6226-6237; BIBL. 41 REF.Article

LOCALIZED MOLECULAR ORBITAL DESCRIPTION OF NITROGEN LONE PAIRS.KLEIER DA; HALL JH JR; HALGREN TA et al.1974; PROC. NATION. ACAD. SCI. U.S.A.; U.S.A.; DA. 1974; VOL. 71; NO 6; PP. 2265-2267; BIBL. 6 REF.Article

SPEED AND ACCURACY IN MOLECULAR ORBITAL CALCULATIONS. A COMPARISON OF CNDO/2, INDO, PRDDO, STO-3G, AND OTHER METHODS, INCLUDING AAMOM, VRDDO, AND ESE MOHALGREN TA; KLEIER DA; HALL JH JR et al.1978; J. AMER. CHEM. SOC.; USA; DA. 1978; VOL. 100; NO 21; PP. 6595-6608; BIBL. 65 REF.Article

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LOCALIZED MOLECULAR ORBITALS FOR POLYATOMIC MOLECULES. II. STRUCTURAL RELATIONSHIPS AND CHARGE DISTRIBUTIONS FOR OPEN BORON HYDRIDES AND IONS.HALL JH JR; DIXON DA; KLEIER DA et al.1975; J. AMER. CHEM. SOC.; U.S.A.; DA. 1975; VOL. 97; NO 15; PP. 4202-4213; BIBL. 39 REF.Article