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La ricerca find articoli where authors phrase all words 'GOULD IR' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 59 riferimenti
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    1. Gould, IR
      Computational chemistry: Application to biological systems

      MOLECULAR SIMULATION
    2. Gould, IR; Lenhard, JR; Muenter, AA; Godleski, SA; Farid, S
      New approach to silver halide photography using radical cation chemistry

      PURE AND APPLIED CHEMISTRY
    3. Gould, IR; Shukla, D; Giesen, D; Farid, S
      Energetics of electron-transfer reactions of photoinitiated polymerization: Dye-sensitized fragmentation of N-alkoxypyridinium salts

      HELVETICA CHIMICA ACTA
    4. de Souza, MM; Rumbles, G; Gould, IR; Amer, H; Samuel, IDW; Moratti, SC; Holmes, AB
      A theoretical and experimental study of cyano- and alkoxy-substituted phenylenevinylene model compounds

      SYNTHETIC METALS
    5. Godbout, JT; Zuilhof, H; Heim, G; Gould, IR; Goodman, JL; Dinnocenzo, JP; Kelley, AM
      Resonance Raman studies of phenylcyclopropane radical cations

      JOURNAL OF RAMAN SPECTROSCOPY
    6. Ostler, RB; Scully, AD; Taylor, AG; Gould, IR; Smith, TA; Waite, A; Phillips, D
      The effect of pH on the photophysics and photochemistry of di-sulphonated aluminum phthalocyanine

      PHOTOCHEMISTRY AND PHOTOBIOLOGY
    7. Gould, IR; Lenhard, JR; Muenter, AA; Godleski, SA; Farid, S
      Two-electron sensitization: A new concept for silver halide photography

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    8. Mercer, IP; Gould, IR; Klug, DR
      A quantum mechanical/molecular mechanical approach to relaxation dynamics:Calculation of the optical properties of solvated bacteriochlorophyll-a

      JOURNAL OF PHYSICAL CHEMISTRY B
    9. Scholes, GD; Gould, IR; Cogdell, RJ; Fleming, GR
      Ab initio molecular orbital calculations of electronic couplings in the LH2 bacterial light-harvesting complex of Rps-acidophila

      JOURNAL OF PHYSICAL CHEMISTRY B
    10. Griffiths, EAH; Britovsek, GJP; Gibson, VC; Gould, IR
      Highly active ethylene polymerisation catalysts based on iron: an ab initio study

      CHEMICAL COMMUNICATIONS
    11. Cuppoletti, A; Dinnocenzo, JP; Goodman, JL; Gould, IR
      Bond-coupled electron transfer reactions: Photoisomerization of norbornadiene to quadricyclane

      JOURNAL OF PHYSICAL CHEMISTRY A
    12. Godbout, JT; Pietrzykowski, MD; Gould, IR; Goodman, JL; Kelley, AM
      Vertical and relaxed structures of a reactive organosilane radical cation from CW and transient resonance Raman spectra

      JOURNAL OF PHYSICAL CHEMISTRY A
    13. Fournier, T; Scholes, GD; Gould, IR; Tavender, SM; Phillips, D; Parker, AW
      Triplet 1-nitronaphthalene and competitive energy and electron transfer reactions with trans-stilbene

      LASER CHEMISTRY
    14. Dombrowski, GW; Dinnocenzo, JP; Farid, S; Goodman, JL; Gould, IR
      alpha-C-H bond dissociation energies of some tertiary amines

      JOURNAL OF ORGANIC CHEMISTRY
    15. Eggeling, J; Griffiths, EAH; Gould, IR; Jones, TS
      Negative ion resonances and vibrational mode selectivity in inelastic electron scattering studies of hydrogen and diethylsilane adsorbed on Si(100)

      CHEMICAL PHYSICS LETTERS
    16. Rhodes, TA; Farid, S; Goodman, JL; Gould, IR; Young, RH
      Charge-transfer complexes and energetic disorder in amorphous organic solids

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    17. GRIFFITHS EAH; GOULD IR; RAMDAS S
      IS THE METALLOCENE (3-THF-CH2-CP)(2)ZRCL2 A BETTER CATALYST THAN THE CORRESPONDING 2-THF DERIVATIVE FOR OLEFIN POLYMERIZATION - A MOLECULARMODELING STUDY

      Chemical communications
    18. SCHOLES GD; GOULD IR; PARKER AW; PHILLIPS D
      TIME-RESOLVED RESONANCE RAMAN AND MOLECULAR-ORBITAL STUDIES OF CHARGESEPARATION AND INTRAMOLECULAR REORGANIZATION

      Chemical physics
    19. Lilichenko, M; Tittelbach-Helmrich, D; Verhoeven, JW; Gould, IR; Myers, AB
      Resonance Raman intensity analysis of a dicyanovinyl-azaadamantane: Mode-specific reorganization energies for charge-transfer and locally-excited states

      JOURNAL OF CHEMICAL PHYSICS
    20. MERCER IP; GOULD IR; KLUG DR
      OPTICAL-PROPERTIES OF SOLVATED MOLECULES CALCULATED BY A QMMM METHOD - CHLOROPHYLL-A AND BACTERIOCHLOROPHYLL A

      Faraday discussions
    21. SCHOLES GD; HARCOURT RD; GOULD IR; PHILLIPS D
      SPECIFIC SOLUTE-SOLVENT INTERACTIONS - THE ETHENE(+)...AR COMPLEX

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    22. CORNELL WD; GOULD IR; KOLLMAN PA
      THE EFFECTS OF BASIS-SET AND BLOCKING GROUPS ON THE CONFORMATIONAL ENERGIES OF GLYCYL AND ALANYL DIPEPTIDES - A HARTREE-FOCK AND MP2 STUDY

      Journal of molecular structure. Theochem
    23. ARNOLD BR; ATHERTON SJ; FARID S; GOODMAN JL; GOULD IR
      COMBINED APPLICATION OF PICOSECOND TRANSIENT ABSORPTION AND EMISSION MEASUREMENTS IN STUDIES OF RADICAL-ION PAIR DYNAMICS

      Photochemistry and photobiology
    24. SCHOLES GD; PHILLIPS D; GOULD IR
      LOW-LYING EXCITED-STATES OF 4-DIMETHYLAMINOBENZONITRILE - EQUILIBRIUMGEOMETRIES, VIBRATIONAL FREQUENCIES AND CHARGE-TRANSFER CHARACTER

      Chemical physics letters
    25. DOCKERY KP; DINNOCENZO JP; FARID S; GOODMAN JL; GOULD IR; TODD WP
      NUCLEOPHILE-ASSISTED CLEAVAGE OF BENZYLTRIALKYLSILANE CATION RADICALS

      Journal of the American Chemical Society
    26. KARKI SB; DINNOCENZO JP; FARID S; GOODMAN JL; GOULD IR; ZONA TA
      BOND-COUPLED ELECTRON-TRANSFER PROCESSES - A NEW STRATEGY FOR HIGH-EFFICIENCY PHOTOINDUCED ELECTRON-TRANSFER REACTIONS

      Journal of the American Chemical Society
    27. HARRISON MJ; BURTON NA; HILLIER IH; GOULD IR
      MECHANISM AND TRANSITION-STATE STRUCTURE FOR PAPAIN-CATALYZED AMIDE HYDROLYSIS, USING A HYBRID QM MM POTENTIAL/

      Chemical communications
    28. DAVIDSON MM; GOULD IR; HILLIER IH
      THE MECHANISM OF THE CATALYSIS OF THE CLAISEN REARRANGEMENT OF CHORISMATE TO PREPHENATE BY THE CHORISMATE MUTASE FROM BACILLUS-SUBTILIS - AMOLECULAR MECHANICS AND HYBRID QUANTUM-MECHANICAL MOLECULAR MECHANICAL STUDY

      Perkin transactions. 2
    29. PHILLIPS DL; GOULD IR; VERHOEVEN JW; TITTELBACHHELMRICH D; MYERS AB
      RESONANCE RAMAN ANALYSIS OF CHARGE-TRANSFER REORGANIZATION ENERGIES IN A COVALENT DICYANOETHYLENE-AZA-ADAMANTANE

      Chemical physics letters
    30. CORNELL WD; CIEPLAK P; BAYLY CI; GOULD IR; MERZ KM; FERGUSON DM; SPELLMEYER DC; FOX T; CALDWELL JW; KOLLMAN PA
      A SECOND GENERATION FORCE-FIELD FOR THE SIMULATION OF PROTEINS, NUCLEIC-ACIDS, AND ORGANIC-MOLECULES (VOL 117, PG 5179, 1995)

      Journal of the American Chemical Society
    31. ARNOLD BR; FARID S; GOODMAN JL; GOULD IR
      ABSOLUTE ENERGIES OF INTERCONVERTING CONTACT AND SOLVENT-SEPARATED RADICAL-ION PAIRS

      Journal of the American Chemical Society
    32. GOULD IR; FARID S
      DYNAMICS OF BIMOLECULAR PHOTOINDUCED ELECTRON-TRANSFER REACTIONS

      Accounts of chemical research
    33. GOULD IR; MOSER JE; ARMITAGE B; FARID S
      FACTORS CONTROLLING THE EFFICIENCIES OF PHOTOINDUCED ELECTRON-TRANSFER REACTIONS

      Research of chemical intermediates
    34. GOULD IR; BURTON NA; HALL RJ; HILLIER IH
      TAUTOMERISM IN URACIL, CYTOSINE AND GUANINE - A COMPARISON OF ELECTRON CORRELATION PREDICTED BY AB-INITIO AND DENSITY-FUNCTIONAL THEORY METHODS

      Journal of molecular structure. Theochem
    35. DAVIDSON MM; GOULD IR; HILLIER IH
      CONTRIBUTION OF TRANSITION-STATE BINDING TO THE CATALYTIC ACTIVITY OFBACILLUS-SUBTILIS CHORISMATE MUTASE

      Journal of the Chemical Society, Chemical Communications
    36. KULINOWSKI K; GOULD IR; FERRIS NS; MYERS AB
      SPECTROSCOPIC, KINETIC, AND THERMODYNAMIC DEUTERIUM-ISOTOPE EFFECTS IN THE HEXAMETHYLBENZENE TETRACYANOETHYLENE CHARGE-TRANSFER COMPLEX/

      Journal of physical chemistry
    37. KULINOWSKI K; GOULD IR; MYERS AB
      ABSORPTION, FLUORESCENCE, AND RESONANCE RAMAN-SPECTROSCOPY OF THE HEXAMETHYLBENZENE TETRACYANOETHYLENE CHARGE-TRANSFER COMPLEX - TOWARD A SELF-CONSISTENT MODEL

      Journal of physical chemistry
    38. GAN H; LEINHOS U; GOULD IR; WHITTEN DG
      PHOTOCHEMICAL ELECTRON-TRANSFER INITIATED OXIDATIVE FRAGMENTATION OF AMINOPINACOLS - FACTORS GOVERNING REACTION-RATES AND QUANTUM EFFICIENCIES OF C-C BOND-CLEAVAGE

      Journal of physical chemistry
    39. GREATBANKS SP; SHERWOOD P; HILLIER IH; HALL RJ; BURTON NA; GOULD IR
      ADSORPTION ENERGIES OF NH3 AND NH4- AN EMBEDDED-CLUSTER MODEL INCLUDING ELECTRON CORRELATION( IN ZEOLITES )

      Chemical physics letters
    40. CORNELL WD; CIEPLAK P; BAYLY CI; GOULD IR; MERZ KM; FERGUSON DM; SPELLMEYER DC; FOX T; CALDWELL JW; KOLLMAN PA
      A 2ND GENERATION FORCE-FIELD FOR THE SIMULATION OF PROTEINS, NUCLEIC-ACIDS, AND ORGANIC-MOLECULES

      Journal of the American Chemical Society
    41. ARNOLD BR; NOUKAKIS D; FARID S; GOODMAN JL; GOULD IR
      DYNAMICS OF INTERCONVERSION OF CONTACT AND SOLVENT-SEPARATED RADICAL-ION PAIRS

      Journal of the American Chemical Society
    42. GAN H; KELLETT MA; LEON JW; KLOEPPNER L; LEINHOS U; GOULD IR; FARID S; WHITTEN DG
      NOVEL INTERMOLECULAR AND INTRAMOLECULAR PHOTOCHEMICAL-REACTIONS INITIATED BY EXCITED-STATE ELECTRON-TRANSFER PROCESSES

      Journal of photochemistry and photobiology. A, Chemistry
    43. YOUNG PE; HILLIER IH; GOULD IR
      ACCURATE PREDICTION OF THE SOLVATION OF NUCLEOTIDE BASE-PAIRS USING AN AB-INITIO CONTINUUM MODEL

      Perkin transactions. 2
    44. GOULD IR; HILLIER IH
      THE RELATION BETWEEN HYDROGEN-BOND STRENGTHS AND VIBRATIONAL FREQUENCY-SHIFTS - A THEORETICAL-STUDY OF COMPLEXES OF OXYGEN AND NITROGEN PROTON ACCEPTORS AND WATER

      Journal of molecular structure. Theochem
    45. GOULD IR; YOUNG RH; MUELLER LJ; ALBRECHT AC; FARID S
      ELECTRONIC COUPLING MATRIX-ELEMENTS IN ACCEPTOR-DONOR EXCITED-STATES AND THE EFFECT OF CHARGE-TRANSFER CHARACTER ON THEIR RADIATIVE RATE CONSTANTS

      Journal of the American Chemical Society
    46. GOULD IR; KOLLMAN PA
      THEORETICAL INVESTIGATION OF THE HYDROGEN-BOND STRENGTHS IN GUANINE CYTOSINE AND ADENINE THYMINE BASE-PAIRS

      Journal of the American Chemical Society
    47. GOULD IR; CORNELL WD; HILLIER IH
      A QUANTUM-MECHANICAL INVESTIGATION OF THE CONFORMATIONAL ENERGETICS OF THE ALANINE AND GLYCINE DIPEPTIDES IN THE GAS-PHASE AND IN AQUEOUS-SOLUTION

      Journal of the American Chemical Society
    48. GOULD IR; YOUNG RH; MUELLER LJ; FARID S
      MECHANISMS OF EXCIPLEX FORMATION - ROLES OF SUPEREXCHANGE, SOLVENT POLARITY, AND DRIVING-FORCE FOR ELECTRON-TRANSFER

      Journal of the American Chemical Society
    49. GOULD IR; YOUNG RH; MUELLER LJ; ALBRECHT AC; FARID S
      ELECTRONIC-STRUCTURES OF EXCIPLEXES AND EXCITED CHARGE-TRANSFER COMPLEXES

      Journal of the American Chemical Society
    50. GOULD IR; VINCENT MA; HILLIER IH
      A THEORETICAL-STUDY OF THE INFRARED-SPECTRA OF GUANINE TAUTOMERS

      Spectrochimica acta. Part A: Molecular spectroscopy
    51. GOULD IR; NOUKAKIS D; GOMEZJAHN L; YOUNG RH; GOODMAN JL; FARID S
      RADIATIVE AND NONRADIATIVE ELECTRON-TRANSFER IN CONTACT RADICAL-ION PAIRS

      Chemical physics
    52. GOULD IR; HILLIER IH
      MODELING OF TAUTOMERIC EQUILIBRIA OF 5-HYDROXYISOXAZOLE IN AQUEOUS-SOLUTION

      Perkin transactions. 2
    53. TODD WP; DINNOCENZO JP; FARID S; GOODMAN JL; GOULD IR
      INTRAMOLECULAR NUCLEOPHILE-ASSISTED CLEAVAGE OF ORGANOSILANE CATION RADICALS

      Tetrahedron letters
    54. GOULD IR; HILLIER IH
      SOLVATION OF ALANINE DIPEPTIDE - A QUANTUM-MECHANICAL TREATMENT

      Journal of the Chemical Society, Chemical Communications
    55. GOULD IR; FARID S
      STERIC EFFECTS IN PHOTOINDUCED ELECTRON-TRANSFER REACTIONS

      Journal of physical chemistry
    56. TROLLOPE KI; GOULD IR; HILLIER IH
      MODELING OF ELECTROSTATIC INTERACTIONS BETWEEN NUCLEOTIDE BASES USINGDISTRIBUTED MULTIPOLES

      Chemical physics letters
    57. GOULD IR; NOUKAKIS D; GOODMAN JL; YOUNG RH; FARID S
      A QUANTITATIVE RELATIONSHIP BETWEEN RADIATIVE AND NONRADIATIVE ELECTRON-TRANSFER IN RADICAL-ION PAIRS

      Journal of the American Chemical Society
    58. GOULD IR; FARID S
      CONCENTRATION-DEPENDENT PHOTOINDUCED ELECTRON-TRANSFER REACTIONS - 1 1 AND 1/2 RADICAL-ION COMPLEXES/

      Journal of the American Chemical Society
    59. GOULD IR; NOUKAKIS D; GOMEZJAHN L; GOODMAN JL; FARID S
      EXPLANATION OF THE DRIVING-FORCE DEPENDENCE OF RETURN ELECTRON-TRANSFER IN CONTACT RADICAL-ION PAIRS

      Journal of the American Chemical Society


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Documento generato il 27/01/21 alle ore 09:47:29