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La ricerca find articoli where authors phrase all words ' HUSH NS' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 52 riferimenti
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    1. Reimers, JR; Hush, NS
      The need for quantum-mechanical treatment of capacitance and related properties of nanoelectrodes

      JOURNAL OF PHYSICAL CHEMISTRY B
    2. Hughes, JM; Hutter, MC; Reimers, JR; Hush, NS
      Modeling the bacterial photosynthetic reaction center. 4. The structural, electrochemical, and hydrogen-bonding properties of 22 mutants of Rhodobacter sphaeroides

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    3. Mylvaganam, K; Bacskay, GB; Hush, NS
      Protonation-induced paramagnetism. Structures and stabilities of six- and seven-coordinate complexes of Os(II) in singlet and triplet states: A density functional study

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    4. Reimers, JR; Hall, LE; Hush, NS
      Tautomerization of nucleobase model compounds: The 4-pyridinol and 4(1H)-pyridinone monomers and their dimers

      JOURNAL OF PHYSICAL CHEMISTRY A
    5. Hall, LE; Reimers, JR; Hush, NS; Silverbrook, K
      Formalism, analytical model, and a priori Green's-function-based calculations of the current-voltage characteristics of molecular wires

      JOURNAL OF CHEMICAL PHYSICS
    6. Reimers, JR; Hutter, MC; Hughes, JM; Hush, NS
      Nature of the special-pair radical cation in bacterial photosynthesis

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    7. Hush, NS; Reimers, JR
      Solvent effects on the electronic spectra of transition metal complexes

      CHEMICAL REVIEWS
    8. Reimers, JR; Hughes, JM; Hush, NS
      Modeling the bacterial photosynthetic reaction center 3: Interpretation ofeffects of site-directed mutagenesis on the special-pair midpoint potential

      BIOCHEMISTRY
    9. Mylvaganam, K; Bacskay, GB; Hush, NS
      Homogeneous conversion of methane to methanol. 2. Catalytic activation of methane by cis- and trans-platin: A density functional study of the Shilov type reaction

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    10. Hush, NS
      Electron transfer in retrospect and prospect 1: Adiabatic electrode processes (vol 460, p 5, 1999)

      JOURNAL OF ELECTROANALYTICAL CHEMISTRY
    11. Hush, NS
      Electron transfer in retrospect and prospect 1: Adiabatic electrode processes

      JOURNAL OF ELECTROANALYTICAL CHEMISTRY
    12. Hutter, MC; Hughes, JM; Reimers, JR; Hush, NS
      Modeling the bacterial photosynthetic reaction center. 2. A combined quantum mechanical molecular mechanical study of the structure of the cofactors in the reaction centers of purple bacteria

      JOURNAL OF PHYSICAL CHEMISTRY B
    13. Reimers, JR; Hush, NS
      Vibrational Stark spectroscopy 3. Accurate benchmark ab initio and densityfunctional calculations for CO and CN-

      JOURNAL OF PHYSICAL CHEMISTRY A
    14. Reimers, JR; Hall, LE; Crossley, MJ; Hush, NS
      Rigid fused oligoporphyrins as potential versatile molecular wires. 2. B3LYP and SCF calculated geometric and electronic properties of 98 oligoporphyrin and related molecules

      JOURNAL OF PHYSICAL CHEMISTRY A
    15. Reimers, JR; Hush, NS
      Electron and energy transfer through bridged systems. 9. Toward a priori evaluation of the intermetallic coupling in bis-metal complexes

      JOURNAL OF PHYSICAL CHEMISTRY A
    16. Mylvaganam, K; Bacskay, GB; Hush, NS
      Homogeneous conversion of methane to methanol. 1. Catalytic activation andfunctionalization of methane by cis-platin in sulfuric acid: A density functional study of the thermochemistry

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    17. HUTTER MC; REIMERS JR; HUSH NS
      MODELING THE BACTERIAL PHOTOSYNTHETIC REACTION-CENTER - 1 - MAGNESIUMPARAMETERS FOR THE SEMIEMPIRICAL AM1 METHOD DEVELOPED USING A GENETICALGORITHM

      JOURNAL OF PHYSICAL CHEMISTRY B
    18. REIMERS JR; HUTTER MC; HUSH NS
      THE SPECTROSCOPY OF THE LOW-LYING BANDS IN THE SPECIAL-PAIR RADICAL-CATIONS OF PHOTOSYNTHETIC REACTION CENTERS

      Photosynthesis research
    19. Hush, NS; Reimers, JR
      Solvent effects on metal to ligand charge transfer excitations

      COORDINATION CHEMISTRY REVIEWS
    20. HUSH NS
      RELATIONSHIP BETWEEN H-D SPIN-SPIN COUPLING AND INTERNUCLEAR DISTANCEIN MOLECULAR-HYDROGEN COMPLEXES

      Journal of the American Chemical Society
    21. REIMERS JR; HUSH NS
      ANALYTIC SOLUTIONS TO RESONANT AND NONRESONANT THROUGH-BRIDGE ELECTRONIC COUPLING

      Nanotechnology
    22. REIMERS JR; LU TX; CROSSLEY MJ; HUSH NS
      MOLECULAR ELECTRONIC-PROPERTIES OF FUSED RIGID PORPHYRIN-OLIGOMER MOLECULAR WIRES

      Nanotechnology
    23. REIMERS JR; HUSH NS
      THE EFFECTS OF COUPLINGS TO SYMMETRICAL AND ANTISYMMETRIC MODES AND MINOR ASYMMETRY ON THE SPECTRAL PROPERTIES OF MIXED-VALENCE AND RELATEDCHARGE-TRANSFER SYSTEMS

      Chemical physics
    24. ZENG J; HUSH NS; REIMERS JR
      SOLVENT EFFECTS ON MOLECULAR AND IONIC SPECTRA-IX - THE CHANGE IN DIPOLE-MOMENT ACCOMPANYING METAL TO LIGAND CHARGE-TRANSFER ABSORPTION IN PENTAAMINOPYRIDYLRUTHENIUM(II)

      Journal of physical chemistry
    25. REIMERS JR; ZENG J; HUSH NS
      VIBRATIONAL STARK SPECTROSCOPY .2. APPLICATION TO THE CN STRETCH IN HCN AND ACETONITRILE

      Journal of physical chemistry
    26. BYTHEWAY I; BACSKAY GB; HUSH NS
      LIGAND-EXCHANGE REACTIONS IN MOLECULAR-HYDROGEN COMPLEXES OF OSMIUM(II) - A QUANTUM-CHEMICAL STUDY USING DENSITY-FUNCTIONAL THEORY

      Journal of physical chemistry
    27. ZENG J; HUSH NS; REIMERS JR
      SOLVENT EFFECTS ON MOLECULAR AND IONIC SPECTRA .8. THE (1)(N,PI-ASTERISK) EXCITED-STATES OF PYRIDAZINE IN WATER

      Journal of physical chemistry
    28. BYTHEWAY I; BACSKAY GB; HUSH NS
      QUANTUM-CHEMICAL STUDY OF THE PROPERTIES OF MOLECULAR-HYDROGEN COMPLEXES OF OSMIUM(II) - A COMPARISON OF DENSITY-FUNCTIONAL AND CONVENTIONAL AB-INITIO METHODS

      Journal of physical chemistry
    29. REIMERS JR; LU TX; CROSSLEY MJ; HUSH NS
      MOLECULAR ELECTRONIC-PROPERTIES OF FUSED RIGID PORPHYRIN-OLIGOMER MOLECULAR WIRES

      Chemical physics letters
    30. ZENG J; HUSH NS; REIMERS JR
      SOLVENT EFFECTS ON MOLECULAR AND IONIC SPECTRA .7. MODELING THE ABSORPTION AND ELECTROABSORPTION SPECTRA OF PENTAAMMINE-RUTHENIUM(II) PYRAZINE AND ITS CONJUGATE ACID IN WATER

      Journal of the American Chemical Society
    31. BACSKAY GB; BYTHEWAY I; HUSH NS
      H-D SPIN-SPIN COUPLING IN STRETCHED MOLECULAR-HYDROGEN COMPLEXES OF OSMIUM(II) - DENSITY-FUNCTIONAL STUDIES OF J(HD)

      Journal of the American Chemical Society
    32. REIMERS JR; CRAW JS; BACSKAY GB; HUSH NS
      TOWARDS EFFICIENT MOLECULAR WIRES AND SWITCHES - THE BROOKER IONS

      Biosystems
    33. REIMERS JR; HUSH NS
      NATURE OF THE GROUND AND FIRST EXCITED-STATES OF THE RADICAL CATIONS OF PHOTOSYNTHETIC BACTERIAL REACTION CENTERS

      Chemical physics
    34. HUSH NS; REIMERS JR
      VIBRATIONAL STARK SPECTROSCOPY .1. BASIC THEORY AND APPLICATION TO THE CO STRETCH

      Journal of physical chemistry
    35. ZENG J; HUSH NS; REIMERS JR
      SOLVENT EFFECTS ON MOLECULAR AND IONIC SPECTRA .5. DEVELOPMENT OF A METHOD FOR SIMULATION OF THE LIQUID STRUCTURE AND SOLVATOCHROMIC SHIFT OF INORGANIC COMPLEXES SUCH AS PENTAAMINOPYRIDYLRUTHENIUM(II) IN WATER

      Journal of physical chemistry
    36. REIMERS JR; HUSH NS
      THE NATURE OF THE NEAR-INFRARED ELECTRONIC ABSORPTION AT 1250 NM IN THE SPECTRA OF THE RADICAL CATIONS OF THE SPECIAL PAIRS IN THE PHOTOSYNTHETIC REACTION CENTERS OF RHODOBACTER-SPHAEROIDES AND RHODOPSEUDOMONAS-VIRIDIS

      Journal of the American Chemical Society
    37. ZENG J; WOYWOD C; HUSH NS; REIMERS JR
      SOLVENT EFFECTS ON MOLECULAR AND IONIC SPECTRA .6. HYDROGEN-BONDING AND THE DELOCALIZED NATURE OF THE FIRST (1)(N,PI-ASTERISK) EXCITED-STATE OF PYRAZINE

      Journal of the American Chemical Society
    38. REIMERS JR; LU TX; CROSSLEY MJ; HUSH NS
      THE MECHANISM OF INNER-HYDROGEN MIGRATION IN FREE-BASE PORPHYRIN - AB-INITIO MP2 CALCULATIONS

      Journal of the American Chemical Society
    39. REIMERS JR; HUSH NS
      ELECTRON-TRANSFER AND ENERGY-TRANSFER THROUGH BRIDGED SYSTEMS .3. TIGHT-BINDING LINKAGES WITH ZERO OR NONZERO ASYMPTOTIC BAND-GAP

      Journal of photochemistry and photobiology. A, Chemistry
    40. LU TX; REIMERS JR; CROSSLEY MJ; HUSH NS
      RIGID FUSED OLIGOPORPHYRINS AS POTENTIAL VERSATILE MOLECULAR WIRES .1. GEOMETRY AND CONNECTIVITY OF 1,4,5,8-TETRAAZAANTHRACENE-BRIDGED SYSTEMS

      Journal of physical chemistry
    41. ZENG J; CRAW JS; HUSH NS; REIMERS JR
      SOLVENT EFFECTS ON MOLECULAR AND IONIC SPECTRA .4. PHOTOCHEMISTRY OF FE2- POSSIBLE MECHANISMS FOR THE PRIMARY ABSORPTION PROCESS LEADING TOELECTRON EJECTION((H2O)(6) IN WATER REVISITED )

      Journal of physical chemistry
    42. REIMERS JR; HUSH NS
      THE INFLUENCE OF SPIN-FORBIDDEN MONOMER EXCITATIONS ON SPIN-ALLOWED ELECTRON-TRANSFER AND ELECTRON-LOCALIZED STATES OF MIXED-VALENCE AND SINGLE-VALENCE DIMERIC SYSTEMS

      Inorganica Chimica Acta
    43. CRAW JS; BACSKAY GB; HUSH NS
      STRETCHED MOLECULAR-HYDROGEN COMPLEXES OF OSMIUM(II) - A QUANTUM-CHEMICAL STUDY OF THE INFLUENCE OF THE TRANS LIGAND ON GEOMETRIES, SPIN-SPIN COUPLING-CONSTANTS, BONDING, AND CHARGE-DISTRIBUTIONS

      Journal of the American Chemical Society
    44. REIMERS JR; CRAW JS; WONG A; BACSKAY GB; HUSH NS
      COMPARISON OF SOLITON GEOMETRY AND CHARGE-DENSITY-WAVE STRUCTURE, ANDBAND-GAPS, BETWEEN ODD POLYENE AND SYMMETRICAL POLYMETHINE CYANINE (BROOKER) IONS AND T-POLYACETYLENE-SCF AND MODEL HAMILTONIAN APPROACHES WITH IMPLICATIONS FOR MOLECULAR WIRES AND SWITCHES

      Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals
    45. REIMERS JR; HUSH NS
      HOLE, ELECTRON AND ENERGY-TRANSFER THROUGH BRIDGED SYSTEMS .8. SOLITON MOLECULAR SWITCHING IN SYMMETRY-BROKEN BROOKER (POLYMETHINECYANINE) CATIONS

      Chemical physics
    46. BINSTEAD RA; HUSH NS
      HOLE LOCALIZATION AND SPIN COUPLING IN PI-MONOCATIONS AND PI-DICATIONS OF MU-OXOPORPHYRIN DIMERS - RELEVANCE TO STRUCTURE OF OXIDIZED SPECIAL PAIR IN PHOTOSYNTHETIC REACTION CENTERS

      Journal of physical chemistry
    47. ZENG J; CRAW JS; HUSH NS; REIMERS JR
      SOLVENT EFFECTS ON MOLECULAR-SPECTRA .1. NORMAL-PRESSURE AND TEMPERATURE MONTE-CARLO SIMULATIONS OF THE STRUCTURE OF DILUTE PYRIMIDINE IN WATER

      The Journal of chemical physics
    48. ZENG J; HUSH NS; REIMERS JR
      SOLVENT EFFECTS ON MOLECULAR-SPECTRA .2. SIMULATIONS OF HYDRATED CLUSTERS AND DILUTE-SOLUTIONS OF PYRIMIDINE IN ITS LOWEST (N,PI-ASTERISK) SINGLET EXCITED-STATE

      The Journal of chemical physics
    49. ZENG J; HUSH NS; REIMERS JR
      SOLVENT EFFECTS ON MOLECULAR-SPECTRA .3. ABSORPTION TO AND EMISSION FROM THE LOWEST SINGLET (N,PI-ASTERISK) STATE OF DILUTE PYRIMIDINE IN WATER

      The Journal of chemical physics
    50. CRAW JS; BACSKAY GB; HUSH NS
      NEAR DOUBLING OF H-H BOND-LENGTH IN THE STRETCHED OSMIUM MOLECULAR-HYDROGEN COMPLEX [OS(NH3)4OAC(ETA-2-H2)]- A THEORETICAL-STUDY( )

      Inorganic chemistry
    51. ZENG J; HUSH NS; REIMERS JR
      ENTHALPY OF HYDRATION AND PARTIAL MOLAR SPECIFIC VOLUME AS CRITERIA FOR EVALUATION OF INTERMOLECULAR POTENTIALS - NPT-ENSEMBLE MONTE-CARLO CALCULATIONS FOR DILUTE NEON IN WATER

      Chemical physics letters
    52. ZENG J; CRAW JS; HUSH NS; REIMERS JR
      MEDIUM EFFECTS ON MOLECULAR AND IONIC ELECTRONIC-SPECTRA - APPLICATION TO THE LOWEST 1(N, PI-ASTERISK) STATE OF DILUTE PYRIDINE IN WATER

      Chemical physics letters


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Documento generato il 30/10/20 alle ore 12:40:36