POTENTIAL-ENERGY SURFACE OF THE S_N2 REACTION IN HYDRATED CLUSTERSMOROKUMA K.1982; J. AM. CHEM. SOC.; ISSN 0002-7863; USA; DA. 1982; VOL. 104; NO 13; PP. 3732-3733; BIBL. 7 REF.Article

WHY DO MOLECULES INTERACT. THE ORIGIN OF ELECTRON DONOR-ACCEPTOR COMPLEXES, HYDROGEN BONDING, AND PROTON AFFINITY.MOROKUMA K.1977; ACCOUNTS CHEM. RES.; U.S.A.; DA. 1977; VOL. 10; NO 8; PP. 294-300; BIBL. 25 REF.Article

POTENTIAL ENERGY CHARACTERISTICS AND ENERGY PARTITIONING IN CHEMICAL REACTIONS: AB INITIO MO STUDY OF FOUR-CENTERED ELIMINATION REACTION CH₃CH₂F->CH₂=CH₂+HFKATO S; MOROKUMA K.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 73; NO 8; PP. 3900-3914; BIBL. 45 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

MCSCF POTENTIAL ENERGY SURFACE FOR PHOTODISSOCIATION OF FORMALDEHYDE.JAFFE RL; MOROKUMA K.1976; J. CHEM. PHYS.; U.S.A.; DA. 1976; VOL. 64; NO 12; PP. 4881-4886; BIBL. 23 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

MOLECULAR ORBITAL STUDIES OF ELECTRON DONOR-ACCEPTOR COMPLEXES. I. CARBONYL CYANIDE-ROR AND TETRACYANOETHYLENE-ROR COMPLEXES.LATHAN WA; MOROKUMA K.1975; J. AMER. CHEM. SOC.; U.S.A.; DA. 1975; VOL. 97; NO 13; PP. 3615-3622; BIBL. 25 REF.Article

MOLECULAR ORBITAL STUDIES OF HYDROGEN BONDS. IX. ELECTRON DISTRIBUTION ANALYSIS.YAMABE SI; MOROKUMA K.1975; J. AMER. CHEM. SOC.; U.S.A.; DA. 1975; VOL. 97; NO 16; PP. 4458-4465; BIBL. 27 REF.Article

NONPLANARITY OF PI SYSTEMS. AN AB INITIO STUDY OF NORBORNENE AND NORBORNADIENEWIPFF G; MOROKUMA K.1980; TETRAHEDRON LETT.; ISSN 0040-4039; GBR; DA. 1980; VOL. 21; NO 46; PP. 4445-4448; BIBL. 17 REF.Article

POTENTIAL ENERGY CHARACTERISTICS AND ENERGY PARTITIONING IN CHEMICAL REACTIONS: AB INITIO MO STUDY OF H₂CCH₂F->H₂CCHF+H REACTIONKATO S; MOROKUMA K.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 72; NO 1; PP. 206-217; BIBL. 30 REF.Article

THEORETICAL EVIDENCE FOR INTRAMOLECULAR HYDROGEN BONDING IN 7-NORBORNENOLMOROKUMA K; WIPFF G.1980; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1980; VOL. 74; NO 3; PP. 400-403; BIBL. 18 REF.Article

AB INITIO STUDIES ON THE ELECTRONIC STRUCTURE OF THE FSO RADICALSAKAI S; MOROKUMA K.1980; CHEM. PHYS.; ISSN 0301-0104; NLD; DA. 1980; VOL. 52; NO 1-2; PP. 33-38; BIBL. 14 REF.Article

AN AB INITIO MOLECULAR ORBITAL STUDY OF ORGANIC REACTIONS. THE ENERGY, CHARGE, AND SPIN DECOMPOSITION ANALYSES AT THE TRANSITION STATE AND ALONG THE REACTION PATHWAY.NAGASE S; MOROKUMA K.1978; J. AMER. CHEM. SOC.; U.S.A.; DA. 1978; VOL. 100; NO 6; PP. 1666-1672; BIBL. 56 REF.Article

MOLECULAR ORBITAL STUDIES OF HYDROGEN BONDS. VI. ORIGIN OF RED SHIFT OF PI -PI * TRANSITIONS TRANS-ACROLEIN-WATER COMPLEX.IWATA S; MOROKUMA K.1975; J. AMER. CHEM. SOC.; U.S.A.; DA. 1975; VOL. 97; NO 5; PP. 966-970; BIBL. 25 REF.Article

A SIMPLE MODEL OF SOLVATION WITHIN THE MOLECULAR ORBITAL THEORY.NOELL JO; MOROKUMA K.1975; CHEM. PHYS. LETTERS; NETHERL.; DA. 1975; VOL. 36; NO 4; PP. 465-469; BIBL. 16 REF.Article

A THEORETICAL STUDY OF UNIMOLECULAR REACTIONS OF VINYL FLUORIDE. POTENTIAL SURFACE CHARACTERISTICS AND THEIR MECHANISTIC IMPLICATIONSKATO S; MOROKUMA K.1981; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1981; VOL. 74; NO 11; PP. 6285-6297; BIBL. 39 REF.Article

RELATIVE STABILITY OF PLANAR AND PERPENDICULAR OLEFINS.NAGASE S; MOROKUMA K.1978; J. AMER. CHEM. SOC.; U.S.A.; DA. 1978; VOL. 100; NO 6; PP. 1661-1666; BIBL. 34 REF.Article

MOLECULAR ORBITAL STUDIES OF HYDROGEN BONDS. X. THE GROUND AND LOW-LYING EXCITED STATES OF FORMIC ACID DIMER.IWATA S; MOROKUMA K.1977; THEOR. CHIM. ACTA; ALLEM.; DA. 1977; VOL. 44; NO 4; PP. 323-339; BIBL. 25 REF.Article

A FRACTIONAL CHARGE MODEL IN THE MOLECULAR ORBITAL THEORY AND ITS APPLICATION TO MOLECULES IN SOLUTIONS AND SOLIDS.NOELL JO; MOROKUMA K.1976; J. PHYS. CHEM.; U.S.A.; DA. 1976; VOL. 80; NO 24; PP. 2675-2685; BIBL. 44 REF.Article

MOLECULAR ORBITAL STUDIES OF HYDROGEN BONDS. VIII. MALONALDEHYDE AND SYMMETRIC HYDROGEN BONDING IN NEUTRAL SPECIES.ISAACSON AD; MOROKUMA K.1975; J. AMER. CHEM. SOC.; U.S.A.; DA. 1975; VOL. 97; NO 16; PP. 4453-4457; BIBL. 29 REF.Article

MOLECULAR ORBITAL STUDIES OF HYDROGEN BONDS. IV. HYDROGEN BONDS IN EXCITED STATES OF H₂CO WITH H₂OIWATA S; MOROKUMA K.1973; CHEM. PHYS. LETTERS; NETHERL.; DA. 1973; VOL. 19; NO 1; PP. 94-98; BIBL. 9 REF.Serial Issue

PHOTOCHEMICAL RING OPENING PATHS OF AZIRINE: ON AB INITIO GVB ENERGY GRADIENT APPROACHKATO S; MOROKUMA K.1981; CHEM. LETT.; ISSN 0366-7022; JPN; DA. 1981; NO 7; PP. 1021-1024; BIBL. 8 REF.Article

ENERGY GRADIENT IN A MULTI-CONFIGURATIONAL SCF FORMALISM AND ITS APPLICATION TO GEOMETRY OPTIMIZATION OF TRIMETHYLENE DIRADICALSKATO S; MOROKUMA K.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 65; NO 1; PP. 19-25; BIBL. 28 REF.Article

THEORY OF THE RYDBERG SPECTRUM OF TRIATOMIC HYDROGENKING HF; MOROKUMA K.1979; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1979; VOL. 71; NO 8; PP. 3213-3220; BIBL. 19 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