PROTON MIGRATION IN PROTON CRYPTATE: A MOLECULAR ORBITAL STUDY ON A PROTON CRYPTATE MODELUMEYAMA H.1980; CHEM. PHARM. BULL.; ISSN 0009-2363; JPN; DA. 1980; VOL. 28; NO 6; PP. 1740-1746; BIBL. 11 REF.Article

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A MOLECULAR ORBITAL STUDY ON THE SOLVOLYSIS OF ASPIRIN DERIVATIVES AND ACYL-ALPHA -CHYMOTRYPSINUMEYAMA H.1974; CHEM. PHARM. BULL.; JAP.; DA. 1974; VOL. 22; NO 11; PP. 2518-2529; BIBL. 16 REF.Article

MOLECULAR ORBITAL STUDY ON A CHLORINE ANION CRYPTATEUMEYAMA H.1979; CHEM. PHARM. BULL.; JPN; DA. 1979; VOL. 27; NO 12; PP. 3180-3182; BIBL. 6 REF.Article

A MOLECULAR ORBITAL STUDY ON THE APPROACH OF HYDRIDE ION TO NAD⁺ AS A COENZYMEUMEYAMA H.1980; CHEM. PHARM. BULL.; JPN; DA. 1980; VOL. 28; NO 4; PP. 1317-1319; BIBL. 15 REF.Article

MOLECULAR ORBITAL STUDY OF PROTON TRANSFER ENERGETICS IN THE ACTIVE SITE OF PAPAIN USING METHANETHIOL-IMIDAZOLE-FORMIC ACID COMPLEX AS A MODELUMEYAMA H; NAKAGAWA S.1981; CHEM. PHARM. BULL.; ISSN 0009-2363; JPN; DA. 1981; VOL. 29; NO 4; PP. 918-925; BIBL. 31 REF.Article

THE ORIGIN OF HYDROGEN BONDING. AN ENERGY DECOMPOSITION STUDY.UMEYAMA H; MOROKUMA K.1977; J. AMER. CHEM. SOC.; U.S.A.; DA. 1977; VOL. 99; NO 5; PP. 1316-1332; BIBL. 51 REF.Article

ROLE OF LOCAL INDUCED-FIT OF SER 195 IN BETA -TRYPSIN: A MOLECULAR ORBITAL STUDYNAKAGAWA S; UMEYAMA H.1982; FEBS LETT.; ISSN 0014-5793; NLD; DA. 1982; VOL. 139; NO 2; PP. 181-184; BIBL. 21 REF.Article

EFFECTS OF THE HYDROGEN BOND BETWEEN HIS 57 AND ASP 102 ON THE LONE PAIR MOLECULAR ORBITAL OF NITROGEN OF HIS 57 IN SERINE PROTEASESUMEYAMA H; NAKAGAWA S.1980; CHEM. PHARM. BULL.; ISSN 0009-2363; JPN; DA. 1980; VOL. 28; NO 8; PP. 2292-2300; BIBL. 14 REF.Article

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THE ROLE OF THE ENVIRONMENT AROUND THE CATALYTIC TRIAD IN BETA -TRYPSIN: A MOLECULAR ORBITAL STUDYNAKAGAWA S; UMEYAMA H.1982; BIOORG. CHEM.; ISSN 0045-2068; GBR; DA. 1982; VOL. 11; NO 3; PP. 322-327; BIBL. 22 REF.Article

AB INITIO MOLECULAR ORBITAL STUDY ON THE EFFECTS OF ZINC ION, ITS LIGANDS AND IONIC AMINO ACID RESIDUES FOR PROTON TRANSFER ENERGETICS BETWEEN GLU 270 AND ZN CO-ORDINATED WATER MOLECULE IN CARBOXYPEPTIDASE ANAKAGAWA S; UMEYAMA H.1982; J. THEOR. BIOL.; ISSN 0022-5193; GBR; DA. 1982; VOL. 96; NO 3; PP. 473-493; BIBL. 45 REF.Article

ENERGY DECOMPOSITION ANALYSIS OF BORAZANE AT THE MOLECULAR ORBITAL LEVEL: ORIGIN OF THE INTERNAL ROTATION BARRIER OF H₃X-YH₃UMEYAMA H; MATSUZAKI T.1979; CHEM. PHARM. BULL.; JPN; DA. 1979; VOL. 27; NO 7; PP. 1626-1635; BIBL. 16 REF.Article

AB INITIO MOLECULAR ORBITAL STUDIES ON THE ASPIRIN SOLVOLYSIS AND ESTER HYDROLYSIS.UMEYAMA H; NAKAGAWA S.1977; CHEM. PHARM. BULL.; JAP.; DA. 1977; VOL. 25; NO 7; PP. 1671-1677; BIBL. 13 REF.Article

A MOLECULAR ORBITAL STUDY ON THE SIDE CHAIN STRUCTURES OF TYROSINE AND PHENYLALANINEUMEYAMA H; NAKAGAWA S.1979; CHEM. PHARM. BULL.; JPN; DA. 1979; VOL. 27; NO 9; PP. 2227-2228; BIBL. 6 REF.Article

THE ORIGIN OF BARRIERS TO INTERNAL ROTATION. AN ENERGY DECOMPOSITION STUDY FOR CH₃-CH₃, CH₃-NH₂ AND CH₃-OH.MOROKUMA K; UMEYAMA H.1977; CHEM. PHYS. LETTERS; NETHERL.; DA. 1977; VOL. 49; NO 2; PP. 333-337; BIBL. 16 REF.Article

MOLECULAR ORBITAL STUDIES OF ELECTRON DONOR-ACCEPTOR COMPLEXES. III. ENERGY AND CHARGE DECOMPOSITION ANALYSES IN FOR SEVERAL STRONG COMPLEXES: OC-BH₃, H₃N-BH₃, CH₃H₂N-BH₃(CH₃)₃N-BH₃, AND H₃N-BF₃.UMEYAMA H; MOROKUMA K.1976; J. AMER. CHEM. SOC.; U.S.A.; DA. 1976; VOL. 98; NO 23; PP. 7208-7220; BIBL. 39 REF.Article

ENERGY DECOMPOSITION ANALYSES OF DIBORANEUMEYAMA H; KUDO T.1981; CHEM. PHARM. BULL.; ISSN 0009-2363; JPN; DA. 1981; VOL. 29; NO 2; PP. 554-558; BIBL. 13 REF.Article

THE ORIGIN OF THE INTERNAL ROTATION BARRIER OF BORANE COMPOUNDSUMEYAMA H; MATSUZAKI T.1979; CHEM. PHARM. BULL.; JPN; DA. 1979; VOL. 27; NO 12; PP. 3164-3166; BIBL. 13 REF.Article

A AB INITIO MOLECULAR ORBITAL STUDY OF MOLECULAR INTERACTIONS BETWEEN FORMIC ACID AND AMMONIAUMEYAMA H; NOMOTO T.1979; CHEM. PHARM. BULL.; JPN; DA. 1979; VOL. 27; NO 5; PP. 1112-1119; BIBL. 9 REF.Article

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ENZYMIC DYNAMICS AND MOLECULAR ORBITAL STUDY ON THE ROLES OF ARGININES IN CARBOXYPEPTIDASE A, A SLIDING MECHANISMNAKAGAWA S; UMEYAMA H.1978; J. AMER. CHEM. SOC.; USA; DA. 1978; VOL. 100; NO 24; PP. 7716-7725; BIBL. 34 REF.Article

MOLECULAR ORBITAL STUDIES ON SERINE, CYSTEINE, AND MODIFIED PROTEASES.NAKAGAWA S; UMEYAMA H.1977; CHEM. PHARM. BULL.; JAP.; DA. 1977; VOL. 25; NO 5; PP. 909-917; BIBL. 16 REF.Article

ORIGIN OF ALKYL SUBSTITUENT EFFECT IN THE PROTON AFFINITY OF AMINES, ALCOHOLS, AND ETHERS.UMEYAMA H; MOROKUMA K.1976; J. AMER. CHEM. SOC.; U.S.A.; DA. 1976; VOL. 98; NO 15; PP. 4400-4404; BIBL. 30 REF.Article