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    1. Astolfi, P; Greci, L; Paul, T; Ingold, KU
      Revision of the a(2)(H) value for N,N-dialkylhydroxylamines based on kinetic and spectroscopic measurements

      JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
    2. Abraham, MH; Zissimos, AM; Acree, WE
      Partition of solutes from the gas phase and from water to wet and dry di-n-butyl ether: a linear free energy relationship analysis

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    3. Lamarche, O; Platts, JA; Hersey, A
      Theoretical prediction of the polarity/polarizability parameter pi(H)(2)

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    4. Cabrita, EJ; Berger, S
      DOSY studies of hydrogen bond association: tetramethylsilane as a reference compound for diffusion studies

      MAGNETIC RESONANCE IN CHEMISTRY
    5. English, NJ; Carroll, DG
      Prediction of Henry's law constants by a quantitative structure property relationship and neural networks

      JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
    6. Abraham, MH; Platts, JA
      Hydrogen bond structural group constants

      JOURNAL OF ORGANIC CHEMISTRY
    7. Smart, BE
      Fluorine substituent effects (on bioactivity)

      JOURNAL OF FLUORINE CHEMISTRY
    8. Mishima, S; Nakajima, T; Tanaka, N
      Evaluation of novel local structural parameters of acids and bases for 1 :1 hydrogen-bond complexation. II. p-fluorophenol, 5-fluoroindole and various bases in carbon tetrachloride

      BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
    9. Grate, JW; Patrash, SJ; Kaganove, SN; Abraham, MH; Wise, BM; Gallagher, NB
      Inverse least-squares modeling of vapor descriptors using polymer-coated surface acoustic wave sensor array responses

      ANALYTICAL CHEMISTRY
    10. Snelgrove, DW; Lusztyk, J; Banks, JT; Mulder, P; Ingold, KU
      Kinetic solvent effects on hydrogen-atom abstractions: Reliable, quantitative predictions via a single empirical equation

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    11. Abraham, RJ; Aboitiz, N; Merrett, J; Sherborne, B; Whitcombe, I
      Conformational analysis. Part 34. An NMR investigation of the conformational equilibrium and intramolecular hydrogen bonding in nipecotic acid derivatives

      JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
    12. Platts, JA
      Theoretical prediction of hydrogen bond donor capacity

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    13. Platts, JA
      Theoretical prediction of hydrogen bond basicity

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    14. Laurence, C; Berthelot, M
      Observations on the strength of hydrogen bonding

      PERSPECTIVES IN DRUG DISCOVERY AND DESIGN
    15. Demathieu, C; Chehimi, MM; Lipskier, JF
      Inverse gas chromatographic characterization of functionalized polysiloxanes. Relevance to sensors technology

      SENSORS AND ACTUATORS B-CHEMICAL
    16. Ghafourian, T; Dearden, JC
      The use of atomic charges and orbital energies as hydrogen-bonding-donor parameters for QSAR studies: Comparison of MNDO, AM1 and PM13 methods

      JOURNAL OF PHARMACY AND PHARMACOLOGY
    17. Mishima, S; Nakajima, T; Fujii, T
      Evaluation of novel local structural parameters of acids and bases for 1 :1 hydrogen-bond complexation I. OH-, NH-acids and phosphorus bases in carbon tetrachloride

      BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
    18. Konya, KG; Paul, T; Lin, SQ; Lusztyk, J; Ingold, KU
      Laser flash photolysis studies on the first superoxide thermal source. First direct measurements of the rates of solvent-assisted 1,2-hydrogen atom shifts and a proposed new mechanism for this unusual rearrangement

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    19. Poole, CF; Gunatilleka, AD; Sethuraman, R
      Contributions of theory to method development in solid-phase extraction

      JOURNAL OF CHROMATOGRAPHY A
    20. Abraham, MH; Ballantine, DS; Callihan, BK
      Revised linear solvation energy relationship coefficients for the 77-phaseMcReynolds data set based on an updated set of solute descriptors

      JOURNAL OF CHROMATOGRAPHY A
    21. Kiridena, W; Poole, CF
      Structure-driven retention model for method development in reversed-phase thin-layer chromatography on octadecylsiloxane-bonded layers

      JPC-JOURNAL OF PLANAR CHROMATOGRAPHY-MODERN TLC
    22. Mancini, PM; Terenzani, A; Adam, C; Perez, AD; Vottero, LR
      Characterization of solvent mixtures: preferential solvation of chemical probes in binary solvent mixtures of polar hydrogen-bond acceptor solvents with polychlorinated co-solvents

      JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
    23. Ouvrard, C; Berthelot, M; Laurence, C
      The first basicity scale of fluoro-, chloro-, bromo- and iodo-alkanes: some cross-comparisons with simple alkyl derivatives of other elements

      JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
    24. Grate, JW; Wise, BM; Abraham, MH
      Method for unknown vapor characterization and classification using a multivariate sorption detector. Initial derivation and modeling based on polymer-coated acoustic wave sensor arrays and linear solvation energy relationships

      ANALYTICAL CHEMISTRY
    25. Hodges, GR; Ingold, KU
      Cage-escape of geminate radical pairs can produce peroxynitrate from peroxynitrite under a wide variety of experimental conditions

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    26. Abraham, MH; Poole, CF; Poole, SK
      Classification of stationary phases and other materials by gas chromatography

      JOURNAL OF CHROMATOGRAPHY A
    27. ABRAHAM MH; PRIOR DV; SCHULZ RA; MORRIS JJ; TAYLOR PJ
      HYDROGEN-BONDING - PART 44 - THERMODYNAMICS OF COMPLEXATION OF 3,5-DICHLOROPHENOL WITH KETONES AND ETHERS IN CYCLOHEXANE - THE BADGER-BAUERRELATIONSHIP

      Journal of the Chemical Society. Faraday transactions
    28. VAES WHJ; RAMOS EU; VERHAAR HJM; CRAMER CJ; HERMENS JLM
      UNDERSTANDING AND ESTIMATING MEMBRANE WATER PARTITION-COEFFICIENTS - APPROACHES TO DERIVE QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIPS/

      Chemical research in toxicology
    29. CHIARA JL; GOMEZSANCHEZ A; BELLANATO J
      SPECTRAL PROPERTIES AND ISOMERISM OF NITROENAMINES - PART 4 - BETA-AMINO-ALPHA-NITRO-ALPHA,BETA-UNSATURATED KETONES

      Journal of the Chemical Society. Perkin transactions. II (Print)
    30. ABRAHAM MH; BERTHELOT M; LAURENCE C; TAYLOR PJ
      ANALYSIS OF HYDROGEN-BOND COMPLEXATION CONSTANTS IN 1,1,-TRICHLOROETHANE - THE ALPHA(H)(2)BETA(H)(2) RELATIONSHIP

      Perkin transactions. 2
    31. Murray, JS; Politzer, P; Famini, GR
      Theoretical alternatives to linear solvation energy relationships

      THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE
    32. TAN LC; CARR PW
      STUDY OF RETENTION IN REVERSED-PHASE LIQUID-CHROMATOGRAPHY USING LINEAR SOLVATION ENERGY RELATIONSHIPS - II - THE MOBILE-PHASE

      Journal of chromatography
    33. HAEBERLEIN M; BRINCK T
      PREDICTION OF WATER-OCTANOL PARTITION-COEFFICIENTS USING THEORETICAL DESCRIPTORS DERIVED FROM THE MOLECULAR-SURFACE AREA AND THE ELECTROSTATIC POTENTIAL

      Perkin transactions. 2
    34. BURG P; SELVES JL; COLIN JP
      CRUDE OILS - MODELING FROM CHROMATOGRAPHIC DATA - A NEW TOOL FOR CLASSIFICATION

      Fuel
    35. MISHIMA S; NAKAJIMA T; FUJII T
      EVALUATION OF NOVEL LOCAL STRUCTURAL PARAMETERS OF VARIOUS ACIDS AND BASES

      Chemistry Letters
    36. ROBERTS BP
      UNDERSTANDING THE RATES OF HYDROGEN-ATOM ABSTRACTION REACTIONS - EMPIRICAL, SEMIEMPIRICAL AND AB-INITIO APPROACHES

      Perkin transactions. 2
    37. MACFAUL PA; INGOLD KU; LUSZTYK J
      KINETIC SOLVENT EFFECTS ON HYDROGEN-ATOM ABSTRACTION FROM PHENOL, ANILINE, AND DIPHENYLAMINE - THE IMPORTANCE OF HYDROGEN-BONDING ON THEIR RADICAL-TRAPPING (ANTIOXIDANT) ACTIVITIES

      Journal of organic chemistry
    38. MOLINA MT; BOUAB W; ESSEFFAR M; HERREROS M; NOTARIO R; ABBOUD JLM; MO O; YANEZ M
      INTRINSIC ACIDITY AND BASICITY OF 2,2,2-TRIFLUOROETHANETHIOL - THE FIRST EXPERIMENTAL AND THEORETICAL-STUDY

      Journal of organic chemistry
    39. TAN LC; CARR PW; ABRAHAM MH
      STUDY OF RETENTION IN REVERSED-PHASE LIQUID-CHROMATOGRAPHY USING LINEAR SOLVATION ENERGY RELATIONSHIPS .1. THE STATIONARY-PHASE

      Journal of chromatography
    40. POTTS RO; GUY RH
      A PREDICTIVE ALGORITHM FOR SKIN PERMEABILITY - THE EFFECTS OF MOLECULAR-SIZE AND HYDROGEN-BOND ACTIVITY

      Pharmaceutical research
    41. ABRAHAM MH; CHADHA HS; MITCHELL RC
      THE FACTORS THAT INFLUENCE SKIN PENETRATION OF SOLUTES

      Journal of Pharmacy and Pharmacology
    42. MISHIMA S; NAKAJIMA T
      AN INTERPRETATION OF CONVERGENT LINEAR ENERGY RELATIONSHIPS OBSERVED FOR 1 1 HYDROGEN-BOND COMPLEXATION OF OH-ACIDS AND NH-ACIDS WITH PHOSPHORUS-COMPOUNDS IN CARBON-TETRACHLORIDE/

      Bulletin of the Chemical Society of Japan
    43. HAGELIN H; MURRAY JS; BRINCK T; BERTHELOT M; POLITZER P
      FAMILY-INDEPENDENT RELATIONSHIPS BETWEEN COMPUTED MOLECULAR-SURFACE QUANTITIES AND SOLUTE HYDROGEN-BOND ACIDITY BASICITY AND SOLUTE-INDUCEDMETHANOL O-H INFRARED FREQUENCY-SHIFTS

      Canadian journal of chemistry
    44. BURG P; SELVES JL; COLIN JP
      NUMERICAL-SIMULATION OF CRUDE-OIL BEHAVIOR FROM CHROMATOGRAPHIC DATA

      Analytica chimica acta
    45. MARCO J; ORZA JM; ABBOUD JLM
      FOURIER-TRANSFORM INFRARED STUDY OF GAS-PHASE H-BONDING - ABSORPTIVITIES AND FORMATION EQUILIBRIUM-CONSTANTS OF FLUOROALCOHOL COMPLEXES

      Vibrational spectroscopy
    46. ABRAHAM MH; ROSES M
      HYDROGEN-BONDING .38. EFFECT OF SOLUTE STRUCTURE AND MOBILE-PHASE COMPOSITION ON REVERSED-PHASE HIGH-PERFORMANCE LIQUID-CHROMATOGRAPHIC CAPACITY FACTORS

      Journal of physical organic chemistry
    47. LEAHY DE; MORRIS JJ; TAYLOR PJ; WAIT AR
      MODEL SOLVENT SYSTEMS FOR QSAR .4. THE HYDROGEN-BOND ACCEPTOR BEHAVIOR OF HETEROCYCLES

      Journal of physical organic chemistry
    48. WILLIAMS PL; BROOKS JD; INMAN AO; MONTEIRORIVIERE NA; RIVIERE JE
      DETERMINATION OF PHYSICOCHEMICAL PROPERTIES OF PHENOL, P-NITROPHENOL,ACETONE AND ETHANOL RELEVANT TO QUANTITATING THEIR PERCUTANEOUS-ABSORPTION IN PORCINE SKIN

      Research communications in chemical pathology and pharmacology
    49. FAN WZ; TSAI RS; ELTAYAR N; CARRUPT PA; TESTA B
      SOLUTE WATER INTERACTIONS IN THE ORGANIC-PHASE OF A BIPHASIC SYSTEM .2. EFFECTS OF ORGANIC-PHASE AND TEMPERATURE ON THE WATER-DRAGGING EFFECT

      Journal of physical chemistry
    50. ABRAHAM MH; CHADHA HS; MITCHELL RC
      HYDROGEN-BONDING .33. FACTORS THAT INFLUENCE THE DISTRIBUTION OF SOLUTES BETWEEN BLOOD AND BRAIN

      Journal of pharmaceutical sciences
    51. MARCO J; ORZA JM; NOTARIO R; ABBOUD JLM
      HYDROGEN-BONDING OF NEUTRAL SPECIES IN THE GAS-PHASE - THE MISSING LINK

      Journal of the American Chemical Society
    52. MISHIMA S; MATSUZAKI I; NAKAJIMA T
      RELATION BETWEEN THE FORMATION CONSTANT AND THE LOCAL-STRUCTURE OF VARIOUS BASES AND REFERENCE ACIDS FOR THE 1 1 HYDROGEN-BOND COMPLEXATIONIN APROTIC-SOLVENTS/

      Journal of the Chemical Society. Faraday transactions
    53. ABRAHAM MH
      SCALES OF SOLUTE HYDROGEN-BONDING - THEIR CONSTRUCTION AND APPLICATION TO PHYSICOCHEMICAL AND BIOCHEMICAL PROCESSES

      Chemical Society reviews
    54. LEE I; KOH HJ; PARK YS; LEE HW
      REACTIVITY SELECTIVITY RELATIONSHIP AND KINETIC SOLVENT ISOTOPE EFFECTS IN NUCLEOPHILIC-SUBSTITUTION REACTIONS

      Perkin transactions. 2
    55. ABRAHAM MH
      APPLICATION OF SOLVATION EQUATIONS TO CHEMICAL AND BIOCHEMICAL PROCESSES

      Pure and applied chemistry
    56. WELHOUSE G; BARAK P; BLEAM WF
      DIMERIZATION CONSTANTS OF ATRAZINE AND CF3-LABELED ATRAZINE

      Journal of physical chemistry
    57. TSAI RS; FAN WZ; ELTAYAR N; CARRUPT PA; TESTA B; KIER LB
      SOLUTE WATER INTERACTIONS IN THE ORGANIC-PHASE OF A BIPHASIC SYSTEM .1. STRUCTURAL INFLUENCE OF ORGANIC SOLUTES ON THE WATER-DRAGGING EFFECT

      Journal of the American Chemical Society
    58. MURRAY JS; POLITZER P
      RELATIONSHIPS BETWEEN SOLUTE HYDROGEN-BOND ACIDITY BASICITY AND THE CALCULATED ELECTROSTATIC POTENTIAL

      Journal of chemical research. Synopses


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Documento generato il 20/10/20 alle ore 02:36:52