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La ricerca find articoli where authors phrase all words ' BACH RD' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 47 riferimenti
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    1. Canepa, C; Bach, RD
      A rate expression for enzymatic reactions: The dynamical relation between coupled oscillators at the active site and the rate enhancement of enzyme-catalysed processes

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    2. Saltiel, J; Dmitrenko, O; Reischl, W; Bach, RD
      The triplet potential energy surface of s-trans-2,4-hexadiene. A comparison of theory and experiment

      JOURNAL OF PHYSICAL CHEMISTRY A
    3. Bach, RD; Dmitrenko, O; Glukhovtsev, MN
      A theoretical study of the effect of a tetraalkylammonium counterion on the hydrogen bond strength in Z-hydrogen maleate

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    4. Bach, RD; Baboul, AG; Schlegel, HB
      Inversion versus retention of configuration for nucleophilic substitution at vinylic carbon

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    5. Estevez, CM; Dmitrenko, O; Winter, JE; Bach, RD
      Reactivity of alkyl versus silyl peroxides. The consequences of 1,2-silicon bridging on the epoxidation of alkenes with silyl hydroperoxides and bis(trialkylsilyl)peroxides

      JOURNAL OF ORGANIC CHEMISTRY
    6. Adam, W; Bach, RD; Dmitrenko, O; Saha-Moller, CR
      A computational study-of the hydroxy-group directivity in the peroxyformicacid epoxidation of the chiral allylic alcohol (Z)-3-methyl-3-penten-2-ol:Control of threo diastereoselectivity through allylic strain and hydrogen bonding

      JOURNAL OF ORGANIC CHEMISTRY
    7. Bach, RD; Canepa, C; Glukhovtsev, MN
      Influence of electrostatic effects on activation barriers in enzymatic reactions: Pyridoxal 5 '-phosphate-dependent decarboxylation of alpha-amino acids

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    8. GLUKHOVTSEV MN; BACH RD; NAGEL CJ
      A HIGH-LEVEL COMPUTATIONAL STUDY ON THE THERMOCHEMISTRY AND THERMAL-DECOMPOSITION OF SULFUR MUSTARD (2,2'-DICHLOROETHYL SULFIDE) - A CHEMICAL WARFARE AGENT

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    9. BABOUL AG; SCHLEGEL HB; GLUKHOVTSEV MN; BACH RD
      COMPUTATIONAL STUDY ON NATURE OF TRANSITION STRUCTURE FOR OXYGEN-TRANSFER FROM DIOXIRANE AND CARBONYLOXIDE

      Journal of computational chemistry
    10. GLUKHOVTSEV MN; BACH RD
      AB-INITIO STUDY ON THE THERMOCHEMISTRY OF VINYL RADICAL AND CATION

      Chemical physics letters
    11. GLUKHOVTSEV MN; CANEPA C; BACH RD
      THE NATURE OF THE TRANSITION STRUCTURE FOR THE OXIDATION OF ALKANES WITH DIOXIRANES

      Journal of the American Chemical Society
    12. BACH RD; ESTEVEZ CM; WINTER JE; GLUKHOVTSEV MN
      ON THE ORIGIN OF SUBSTRATE DIRECTING EFFECTS IN THE EPOXIDATION OF ALLYL ALCOHOLS WITH PEROXYFORMIC ACID

      Journal of the American Chemical Society
    13. BACH RD; GLUKHOVTSEV MN; CANEPA C
      OXIDATION OF ALKENES, SULFIDES, AMINES, AND PHOSPHINES WITH PEROXYNITROUS ACID - COMPARISON WITH OTHER OXIDANTS SUCH AS PEROXYFORMIC ACID AND DIMETHYLDIOXIRANE

      Journal of the American Chemical Society
    14. BACH RD; GLUKHOVTSEV MN; GONZALEZ C
      HIGH-LEVEL COMPUTATIONAL STUDY OF THE STEREOELECTRONIC EFFECTS OF SUBSTITUENTS ON ALKENE EPOXIDATIONS WITH PEROXYFORMIC ACID

      Journal of the American Chemical Society
    15. BACH RD; GLUKHOVTSEV MN; GONZALEZ C; MARQUEZ M; ESTEVEZ CM; BABOUL AG; SCHLEGEL HB
      NATURE OF THE TRANSITION STRUCTURE FOR ALKENE EPOXIDATION BY PEROXYFORMIC ACID, DIOXIRANE, AND DIMETHYLDIOXIRANE - A COMPARISON OF B3LYP DENSITY-FUNCTIONAL THEORY WITH HIGHER COMPUTATIONAL LEVELS

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    16. GLUKHOVTSEV MN; BACH RD; NAGEL CJ
      PERFORMANCE OF THE B3LYP ECP DFT CALCULATIONS OF IRON-CONTAINING COMPOUNDS/

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    17. GLUKHOVTSEV MN; BACH RD
      A HIGH-LEVEL COMPUTATIONAL STUDY ON THE THERMOCHEMISTRY OF VINYL AND FORMYL HALIDES - HEATS OF FORMATION, DISSOCIATION-ENERGIES, AND STABILIZATION ENERGIES

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    18. GLUKHOVTSEV MN; BACH RD; LAITER S
      ISODESMIC AND HOMODESMOTIC STABILIZATION ENERGIES OF [N]ANNULENES ANDTHEIR RELEVANCE TO AROMATICITY AND ANTIAROMATICITY - IS ABSOLUTE ANTIAROMATICITY POSSIBLE

      Journal of molecular structure. Theochem
    19. BACH RD; CANEPA C; WINTER JE; BLANCHETTE PE
      MECHANISM OF ACID-CATALYZED EPOXIDATION OF ALKENES WITH PEROXY ACIDS

      Journal of organic chemistry
    20. GLUKHOVTSEV MN; BACH RD; LAITER S
      SINGLE-STEP AND MULTISTEP MECHANISMS OF AROMATIC NUCLEOPHILIC-SUBSTITUTION OF HALOBENZENES AND HALONITROBENZENES WITH HALIDE ANIONS - AB-INITIO COMPUTATIONAL STUDY

      Journal of organic chemistry
    21. GLUKHOVTSEV MN; BACH RD; LAITER S
      HIGH-LEVEL COMPUTATIONAL STUDY ON THE THERMOCHEMISTRY OF SATURATED AND UNSATURATED 3-MEMBERED AND 4-MEMBERED NITROGEN AND PHOSPHORUS RINGS

      International journal of quantum chemistry
    22. GLUKHOVTSEV MN; BACH RD
      METHYLENE-IODONIUM YLIDE - AN ISOMER OF DIIODOMETHANE

      Chemical physics letters
    23. GLUKHOVTSEV MN; BACH RD
      AB-INITIO STUDY ON THE THERMOCHEMISTRY OF DIPHOSPHINE (P2H4) AND DIPHOSPHINE RADICAL-CATION (P2H4+.)

      Chemical physics letters
    24. BACH RD; CANEPA C
      THEORETICAL-MODEL FOR PYRUVOYL-DEPENDENT ENZYMATIC DECARBOXYLATION OFALPHA-AMINO-ACIDS

      Journal of the American Chemical Society
    25. ESTEVEZ CM; BACH RD; HASS KC; SCHNEIDER WF
      NOVEL STRUCTURAL MODIFICATIONS ASSOCIATED WITH THE HIGHLY EFFICIENT INTERNAL-CONVERSION OF 2-(2'-HYDROXYPHENYL)BENZOTRIAZOLE ULTRAVIOLET STABILIZERS

      Journal of the American Chemical Society
    26. GLUKHOVTSEV MN; BACH RD; LAITER S
      COMPUTATIONAL STUDY OF THE THERMOCHEMISTRY OF C5H5- WHICH C5H5+ ISOMER IS THE MOST STABLE( ISOMERS )

      Journal of physical chemistry
    27. BACH RD; SHOBE DS; SCHLEGEL HB; NAGEL CJ
      THERMOCHEMISTRY OF IRON CHLORIDES AND THEIR POSITIVE AND NEGATIVE-IONS

      Journal of physical chemistry
    28. BACH RD; CANEPA C
      ELECTRONIC FACTORS INFLUENCING THE DECARBOXYLATION OF BETA-KETO ACIDS- A MODEL ENZYME STUDY

      Journal of organic chemistry
    29. BACH RD; SCHILKE IL; SCHLEGEL HB
      THE ENERGETICS OF VALENCE ISOMERIZATION IN THE NORBORNADIENE-QUADRICYCLANE SYSTEM

      Journal of organic chemistry
    30. NAGEL CJ; CHANENCHUK CA; WONG EW; BACH RD
      CATALYTIC EXTRACTION PROCESSING - AN ELEMENTAL RECYCLING TECHNOLOGY

      Environmental science & technology
    31. HASS KC; SCHNEIDER WF; ESTEVEZ CM; BACH RD
      DENSITY-FUNCTIONAL THEORY DESCRIPTION OF EXCITED-STATE INTRAMOLECULARPROTON-TRANSFER

      Chemical physics letters
    32. GLUKHOVTSEV MN; BACH RD; PROSS A; RADOM L
      THE PERFORMANCE OF B3-LYP DENSITY-FUNCTIONAL THEORY IN DESCRIBING S(N)2 REACTIONS AT SATURATED CARBON

      Chemical physics letters
    33. BACH RD; AYALA PY; SCHLEGEL HB
      A REASSESSMENT OF THE BOND-DISSOCIATION ENERGIES OF PEROXIDES - AN AB-INITIO STUDY

      Journal of the American Chemical Society
    34. GLUKHOVTSEV MN; PROSS A; SCHLEGEL HB; BACH RD; RADOM L
      GAS-PHASE IDENTITY S(N)2 REACTIONS OF HALIDE ANIONS AND METHYL HALIDES WITH RETENTION OF CONFIGURATION

      Journal of the American Chemical Society
    35. BACH RD; GONZALEZ C; ANDRES JL; SCHLEGEL HB
      KINETIC ISOTOPE EFFECTS AS A GUIDE TO TRANSITION-STATE GEOMETRIES FORTHE INTRAMOLECULAR COPE AND YLIDE ELIMINATION-REACTIONS - AN AB-INITIO MO STUDY

      Journal of organic chemistry
    36. BACH RD; MINTCHEVA I; ESTEVEZ CM; SCHLEGEL HB
      THEORETICAL-MODEL FOR AN ALTERNATE MECHANISM FOR THE CYTOCHROME-P-450HYDROXYLATION OF QUADRICYCLANE

      Journal of the American Chemical Society
    37. BACH RD; WINTER JE; MCDOUALL JJW
      RELATIVE NUCLEOPHILICITY - THE ROLE OF SOLVATION AND THERMODYNAMICS

      Journal of the American Chemical Society
    38. BACH RD; ANDRES JL; WINTER JE; SCHLEGEL HB; BALL JC; HOLUBKA JW
      A MODEL FOR ADHESION-PRODUCING INTERACTIONS OF ZINC-OXIDE SURFACES WITH ALCOHOLS, AMINES, AND ALKENES

      Journal of adhesion science and technology
    39. BACH RD; SCHLEGEL HB; ANDRES JL; SOSA C
      A MODEL FOR THE FREE-RADICAL AND ELECTROPHILIC HYDROXYLATION OF BICYCLO[2.1.0]PENTANE

      Journal of the American Chemical Society
    40. WENDT JA; GAUVREAU PJ; BACH RD
      SYNTHESIS OF (+ -)-FREDERICAMYCIN-A

      Journal of the American Chemical Society
    41. BACH RD; SU MD
      THE TRANSITION-STATE FOR THE HYDROXYLATION OF SATURATED-HYDROCARBONS WITH HYDROPEROXONIUM ION

      Journal of the American Chemical Society
    42. BACH RD; SU MD; SCHLEGEL HB
      OXIDATION OF AMINES AND SULFIDES WITH HYDROGEN-PEROXIDE AND ALKYL HYDROGEN-PEROXIDE - THE NATURE OF THE OXYGEN-TRANSFER STEP

      Journal of the American Chemical Society
    43. BACH RD; SU MD
      INDUCTIVE VERSUS COULOMBIC EFFECTS ON THE BARRIERS TO OXYGEN-ATOM TRANSFER FROM ALKYL HYDROPEROXIDES - MODEL STUDIES ON 4-ALPHA-FLAVIN HYDROPEROXIDE

      Journal of the American Chemical Society
    44. BACH RD; MINTCHEVA I; KRONENBERG WJ; SCHLEGEL HB
      TORSIONAL BARRIERS IN ALPHA-KETO AMIDES - MODEL STUDIES RELATED TO THE BINDING-SITE OF FK506

      Journal of organic chemistry
    45. BACH RD; SU MD; ALDABBAGH E; ANDRES JL; SCHLEGEL HB
      A THEORETICAL-MODEL FOR THE ORIENTATION OF CARBENE INSERTION INTO SATURATED-HYDROCARBONS AND THE ORIGIN OF THE ACTIVATION BARRIER

      Journal of the American Chemical Society
    46. BACH RD; SU MD; ANDRES JL; SCHLEGEL HB
      STRUCTURE AND REACTIVITY OF DIAMIDOIRON(III) HYDROPEROXIDE - THE MECHANISM OF OXYGEN-ATOM TRANSFER TO AMMONIA

      Journal of the American Chemical Society
    47. BACH RD; ANDRES JL; SU MD; MCDOUALL JJW
      THEORETICAL-MODEL FOR ELECTROPHILIC OXYGEN-ATOM INSERTION INTO HYDROCARBONS

      Journal of the American Chemical Society


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Documento generato il 23/01/21 alle ore 13:02:37