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La ricerca find articoli where soggetti phrase all words 'proton affinity' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 228 riferimenti
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    1. Barrientos, C; Redondo, P; Largo, A
      Ionization and protonation of MgC3: A theoretical study

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    2. Kovacevic, B; Maksic, ZB
      Basicity of some organic superbases in acetonitrile

      ORGANIC LETTERS
    3. Vayssilov, GN; Rosch, N
      Influence of alkali and alkaline earth cations on the Bronsted acidity of zeolites

      JOURNAL OF PHYSICAL CHEMISTRY B
    4. Eckert-Maksic, M; Glasovac, Z; Coumbassa, NN; Maksic, ZB
      The Mills-Nixon effect and chemical reactivity - methyl cation affinity ofsome cycloalkabenzenes

      JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
    5. Williams, TI; Denault, JW; Cooks, RG
      Proton affinity of deuterated acetonitrile estimated by the kinetic methodwith full entropy analysis

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    6. Morlender-Vais, N; Holmes, JL
      Proton affinities of two weakly bidentate molecules: 1,2-dimethoxyethane and methoxyacetone

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    7. Di Donna, L; Napoli, A; Sindona, G
      Entropy effect in the evaluation of the proton affinity of N-3-benzoyl-2-deoxycytidines by the kinetic method

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    8. Bouchoux, G; Leblanc, D; Sablier, M
      Determination of ionization energies by the thermokinetic method

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    9. Mourgues, P; Chamot-Rooke, J; van der Rest, G; Nedev, H; Audier, HE; McMahon, TB
      Catalyzed keto-enol tautomerism of ionized acetone: a Fourier transform ion cyclotron resonance mass spectrometry study of proton transport isomerization

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    10. Siebert, HC; Tajkhorshid, E; Dabrowski, J
      Barrier to rotation around the C-sp(2)-C-sp(2) bond of the ketoaldehyde enol ether MeC(O)CH=CH-OEt as determined by C-13 NMR and ab initio calculations

      JOURNAL OF PHYSICAL CHEMISTRY A
    11. Gal, JF; Maria, PC; Raczynska, ED
      Thermochemical aspects of proton transfer in the gas phase

      JOURNAL OF MASS SPECTROMETRY
    12. Attina, M; Cacace, F; Cartoni, A; Rosi, M
      Gas-phase electrophilic fluorination of methanol by XeF+. Formation and characterization of protonated methyl hypofluorite and hypoxenite

      JOURNAL OF MASS SPECTROMETRY
    13. Marino, T; Russo, N; Tocci, E; Toscano, M
      Density functional computations of proton affinity and gas-phase basicity of proline

      JOURNAL OF MASS SPECTROMETRY
    14. Trifonov, RE; Ostrovskii, VA
      Basicity of phenyl-substituted 1,3-oxazoles

      RUSSIAN JOURNAL OF ORGANIC CHEMISTRY
    15. Christian, NP; Reilly, JP; Mokler, VR; Wincott, FE; Ellington, AD
      Elucidation of the initial step of oligonucleotide fragmentation in matrix-assisted laser desorption/ionization using modified nucleic acids

      JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
    16. Piotrowski, T; Radecka, H; Radecki, J; Depraetere, S; Dehaen, W
      Potentiometric response of calix[4]pyrrole liquid membrane electrode towards neutral nitrophenols

      ELECTROANALYSIS
    17. Bereket, G; Ogretir, C; Yurt, A
      Quantum mechanical calculations on some 4-methyl-5-substituted imidazole derivatives as acidic corrosion inhibitor for zinc

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    18. Guo, JZ; Goodings, JM
      A density functional study of the hydration energies and proton affinitiesof some scandium compounds with hydrogen and oxygen

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    19. Guo, H; Salahub, DR
      Origin of the high basicity of 2,7-dimethoxy-1,8-bis-(dimethylamino)naphthalene: Implications for enzyme catalysis

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    20. Ceotto, M; Gianturco, FA
      Gas-phase proton affinity of ozone: a computational test of the experimental mechanism

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    21. Ogretir, C; Acikkalp, E; Guray, T
      Investigation of the acidity constants and Hammett relations of some oxazolo[4,5-b]pyridin derivatives using semiempirical AM1 quantum chemical calculation method

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    22. Park, ST; Kim, SK; Kim, MS
      Vacuum-ultraviolet mass-analyzed threshold ionization spectra of iodobutane isomers: Conformer-specific ionization and ion-core dissociation followedby ionization

      JOURNAL OF CHEMICAL PHYSICS
    23. Kazazic, S; Kazazic, S; Klasinc, L; McGlynn, SP; Pryor, WA
      On the proton affinity of peroxynitrite and peroxynitrous acid

      CROATICA CHEMICA ACTA
    24. Gustafsson, JP
      The surface chemistry of imogolite

      CLAYS AND CLAY MINERALS
    25. Abboud, JLM; Castano, O; Davalos, JZ; Gomperts, R
      The standard enthalpies of formation of 1-and 2-Adamantyl cations and radicals. An ab initio study

      CHEMICAL PHYSICS LETTERS
    26. Puziy, AM; Poddubnaya, OI; Ritter, JA; Ebner, AD; Holland, CE
      Elucidation of the ion binding mechanism in heterogeneous carbon-compositeadsorbents

      CARBON
    27. Bagreev, A; Bandosz, TJ; Locke, DC
      Pore structure and surface chemistry of adsorbents obtained by pyrolysis of sewage sludge-derived fertilizer

      CARBON
    28. Siu, FM; Ma, NL; Tsang, CW
      Cation-pi interactions in sodiated phenylalanine complexes: Is phenylalanine in the charge-solvated or zwitterionic form?

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    29. Bardin, BB; Davis, RJ; Neurock, M
      Ammonia adsorption on Keggin-type heteropolyacid catalysts explored by density functional quantum chemistry calculations

      JOURNAL OF PHYSICAL CHEMISTRY B
    30. Afonso, C; Modeste, F; Breton, P; Fournier, F; Tabet, JC
      Proton affinities of the commonly occuring L-amino acids by using electrospray ionization-ion trap mass spectrometry

      EUROPEAN JOURNAL OF MASS SPECTROMETRY
    31. Witt, M; Grutzmacher, HF
      Effects of internal hydrogen bonds between amide groups: Gas-phase basicity and proton affinity of linear aliphatic dicarboxamides

      EUROPEAN JOURNAL OF MASS SPECTROMETRY
    32. Bouchoux, G; Leblanc, D
      Gas-phase basicity of formaldehyde by the thermokinetic method

      EUROPEAN JOURNAL OF MASS SPECTROMETRY
    33. Grau-Crespo, R; Peralta, AG; Ruiz-Salvador, AR; Gomez, A; Lopez-Cordero, R
      A computer simulation study of distribution, structure and acid strength of active sites in H-ZSM-5 catalyst

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    34. Ramondo, F; Sodeau, JR; Roddis, TB; Williams, NA
      An ab initio and experimental study of bromine on low-temperature water clusters and ice surfaces

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    35. Wincel, H
      Cluster ions: Gas-phase stabilities of NO+(CH3CN)(n) and NO2+(CH3CN)(n) with n=1-5

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    36. Aue, DH; Guidoni, M; Betowski, LD
      Ab initio calculated gas-phase basicities of polynuclear aromatic hydrocarbons

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    37. Kebarle, P
      Gas phase ion thermochemistry based on ion-equilibria From the ionosphere to the reactive centers of enzymes

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    38. Bouchoux, G; Gaudin, B; Leblanc, D; Yanez, M; Mo, O
      Is ionized cyclopropylamine cyclic?

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    39. Gronert, S; Feng, WY; Chew, F; Wu, WM
      The gas phase acid/base properties of 1,3,-dimethyluracil, 1-methyl-2-pyridone, and 1-methyl-4-pyridone: relevance to the mechanism of orotidine-5 '-monophosphate decarboxylase

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    40. Cao, J; Holmes, JL
      The proton affinities of amin-alkanes. A test case for the kinetic method

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    41. Gevrey, S; Luna, A; Taphanel, MH; Tortajada, J; Morizur, JP
      Experimental and theoretical studies of the gas-phase reactivity of the (HO)(2)P=O+ phosphonium ions towards methanol

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    42. Thomas, PD; Morrison, RJS
      Measurement of the proton affinities of some methyl substituted pyrimidines via the kinetic method on a pentaquadrupole mass spectrometer

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    43. Cacace, F; de Petris, G
      Mass spectrometric study of simple main group molecules and ions importantin atmospheric processes

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    44. Bordiga, S; Palomino, GT; Paze, C; Zecchina, A
      Vibrational spectroscopy of H-2, N-2, CO and NO adsorbed on H, Li, Na, K-exchanged ferrierite

      MICROPOROUS AND MESOPOROUS MATERIALS
    45. Liguori, A; Napoli, A; Sindona, G
      Survey of the proton affinities of adenine, cytosine, thymine and uracil dideoxyribonucleosides, deoxyribonucleosides and ribonucleosides

      JOURNAL OF MASS SPECTROMETRY
    46. Turecek, F
      Proton affinity of peroxyacetyl nitrate. A computational study of topical proton affinities

      JOURNAL OF MASS SPECTROMETRY
    47. Borisov, YA
      An ab initio quantum-chemical study of proton addition to F-, CH3-, and CF3-substituted ethylene derivatives

      RUSSIAN CHEMICAL BULLETIN
    48. Borisov, YA
      Proton affinities of fluoro derivatives of benzene, toluene, and m-xylene from ab initio MP2 calculations

      RUSSIAN CHEMICAL BULLETIN
    49. Janusz, W
      The electrical double layer parameters for the Group 4 metal oxide/electrolyte system

      ADSORPTION SCIENCE & TECHNOLOGY
    50. Civcir, PU; Ogretir, C
      Investigation of the properties of some furylpyridine and thienylpyridine derivatives in the gas and aqueous phases using semiempirical methods

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    51. Cacace, F; Ciuffo, GM; de Petris, G
      Concerning the Lewis acidity of NO+ and NO2+ as measured by their affinityto selected bases

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    52. Tajkhorshid, E; Suhai, S
      The dielectric effect of the environment on the pK(a) of the retinal Schiff base and on the stabilization of the ion pair in bacteriorhodopsin

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    53. Tamassy-Lentei, I; Szaniszlo, J
      Ab initio theoretical investigation of the hydrogen-, lithium-, sodium- and potassium cation affinities of the XY (X,Y = H, Li, Na, K) alkali dimers

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    54. Guven, A; Yekeler, H; Ozkan, R
      Prediction of the acidities of organic bases in aqueous solution using AM1COSMO solvation model

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    55. El Hammadi, A; El Mouhtadi, M
      The theoretical determination of heats of formation, proton affinities andgas basicities of N and C-substituted pyrazoles: analysis of the substituent effects on the gas-phase basicity

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    56. Tielens, F; Langenaeker, W; Geerlings, P
      Ab initio study of the bridging hydroxyl acidity and stability in the 12-membered ring of zeolites

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    57. Vayner, E; Ball, DW
      Ab initio and density functional optimized structures, proton affinities, and heats of formation for aziridine, azetidine, pyrrolidine, and piperidine

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    58. Kohler, L; Scaglione, S; Giorgi, R; Riga, J; Rudolf, P; Caudano, R
      Ability of a Kaufman source to functionalize the surface of polystyrene bylow-energy (80-225 eV) nitrogen ion bombardment

      SURFACE AND INTERFACE ANALYSIS
    59. Dell'Erba, C; Gruttadauria, M; Mugnoli, A; Noto, R; Novi, M; Occhiucci, G; Petrillo, G; Spinelli, D
      Gas-phase and solution basicities of some alkyl 2,6-dialkylphenyl ketones:a comparative analysis

      TETRAHEDRON
    60. Gunnarsson, M; Jakobsson, AM; Ekberg, S; Albinsson, Y; Ahlberg, E
      Sorption studies of cobalt(II) on colloidal hematite using potentiometry and radioactive tracer technique

      JOURNAL OF COLLOID AND INTERFACE SCIENCE
    61. Bergelin, A; van Hees, PAW; Wahlberg, O; Lundstrom, US
      The acid-base properties of high and low molecular weight organic acids insoil solutions of podzolic soils

      GEODERMA
    62. Balashov, SP
      Protonation reactions and their coupling in bacteriorhodopsin

      BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS
    63. Kurinovich, MA; Lee, JK
      The acidity of uracil from the gas phase to solution: The coalescence of the N1 and N3 sites and implications for biological glycosylation

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    64. Kotrla, J; Nachtigallova, D; Bosacek, V; Novakova, J
      The reaction of acetone and ammonia on acid zeolites

      PCCP PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    65. Wang, DZ; Streitwieser, A
      An ab initio study of electrophilic aromatic substitution

      THEORETICAL CHEMISTRY ACCOUNTS
    66. Chou, CW; Williams, P; Limbach, PA
      Matrix influence on the formation of positively charged oligonucleotides in matrix-assisted laser desorption/ionization mass spectrometry

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    67. Heninger, M; Lemaire, J; Fenistein, S; Marx, R; Mauclaire, G
      Radiative lifetime measurements of the CO and CD stretching modes in DCO+

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    68. Oiestad, EL; Uggerud, E
      The unimolecular chemistry of protonated hydroxylamine

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    69. Decker, BK; Adams, NG; Babcock, LM
      Gas-phase reactivity of HS2H+center dot and S-2(+center dot): an investigation of the gas basicity and proton affinity of HS2 center dot

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    70. Strittmatter, EF; Williams, ER
      Computational approach to the proton affinities of Gly(n) (n = 1-10)

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    71. Norrman, K; McMahon, TB
      Isotope effects in dissociation reactions of proton bound amine dimers in the gas phase

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    72. Cao, J; Holmes, JL
      Determining the proton affinities of nitriles by the kinetic method

      EUROPEAN MASS SPECTROMETRY
    73. Janek, M; Komadel, P
      Acidity of proton saturated and autotransformed smectites characterized with proton affinity distribution

      GEOLOGICA CARPATHICA
    74. Polasek, M; Turecek, F
      Direct observation of hydrogen atom adducts to nitromethane and methyl nitrite. A variable-time neutralization-reionization mass spectrometric and abinitio/RRKM study

      JOURNAL OF PHYSICAL CHEMISTRY A
    75. Kosevich, MV; Boryak, OA; Pashinskaya, VA; Shelkovsky, VS
      Low-temperature fast atom bombardment mass spectra of frozen nitric acid-water solution

      JOURNAL OF MASS SPECTROMETRY
    76. Sidorkin, VF; Shagun, VA; Pestunovich, VA
      Stereoelectronic effects and the problem of the choice of model compounds for organic derivatives of a pentacoordinated silicon atom (taking silatranes as an example)

      RUSSIAN CHEMICAL BULLETIN
    77. Spoto, G; Geobaldo, F; Bordiga, S; Lamberti, C; Scarano, D; Zecchina, A
      Heterocycles oligomerization in acidic zeolites: a UV-visible and IR study

      TOPICS IN CATALYSIS
    78. Gargallo, R; Sotriffer, CA; Liedl, KR; Rode, BM
      Application of multivariate data analysis methods to Comparative MolecularField Analysis (CoMFA) data: Proton affinities and pKa prediction for nucleic acids components

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    79. Eckert-Maksic, M; Antol, I; Klessinger, M; Maksic, ZB
      Proton affinity of substituted naphthalenes

      JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
    80. Hiemstra, T; Van Riemsdijk, WH
      Effect of different crystal faces on experimental interaction force and aggregation of hematite

      LANGMUIR
    81. Lopez, R; Del Rio, E; Menendez, MI; Sordo, TL
      Ab initio study of the reaction of CHO+ with H2O and NH3

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    82. Perez, P; Contreras, R; Aizman, A
      Sites of protonation of N2-substituted N1,N1-dimethyl formamidines from regional reactivity indices

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    83. Jursic, BS
      Complete basis set, Gaussian, and hybrid density functional theory evaluation of the proton affinities of water and ammonia

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    84. Jursic, BS
      Density functional theory and complete basis set ab initio evaluation of proton affinity for some selected chemical systems

      THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE
    85. Schwarz, JA
      The phenomena of proton transfer from catalytic oxides

      JOURNAL OF COLLOID AND INTERFACE SCIENCE
    86. Roux, MV; Jimenez, P; Davalos, JZ; Notario, R; Abboud, JLM
      Thermochemistry of neutral and protonated 1,7,7-trimethylbicyclo[2.2.1]heptan-2-thione (thiocamphor)

      JOURNAL OF CHEMICAL THERMODYNAMICS
    87. Dopfer, O; Roth, D; Olkhov, RV; Maier, JP
      Infrared spectrum and ab initio calculations of the CH3CNH+-H-2 ionic complex

      JOURNAL OF CHEMICAL PHYSICS
    88. Vayssilov, GN; Rosch, N
      Density functional studies of alkali-exchanged zeolites: Basicity and core-level shifts of framework oxygen atoms

      JOURNAL OF CATALYSIS
    89. Anderson, WR
      Heats of formation of HNO and some related species

      COMBUSTION AND FLAME
    90. Paze, C; Civalleri, B; Bordiga, S; Zecchina, A
      HCl and HCl-base adducts in silicalite channels as models of acid-base interactions in zeolites: An IR and theoretical study

      JOURNAL OF PHYSICAL CHEMISTRY B
    91. Bardin, BB; Bordawekar, SV; Neurock, M; Davis, RJ
      Acidity of Keggin-type heteropolycompounds evaluated by catalytic probe reactions, sorption microcalorimetry, and density functional quantum chemicalcalculations

      JOURNAL OF PHYSICAL CHEMISTRY B
    92. STONE JA; CARTER MD
      ASSOCIATION OF THE AMMONIUM ION WITH ALPHA,OMEGA-ALKANEDIOLS

      International journal of mass spectrometry and ion processes
    93. MILLIGAN DB; FAIRLEY DA; MAUTNER MMN; MCEWAN MJ
      PROTON AFFINITY OF CYANOGEN AND ASSOCIATION REACTIONS OF C2N2H+ AND C2N2CH3+

      International journal of mass spectrometry and ion processes
    94. Chen, QF; Goodings, JM
      The measurement of high proton affinities for a variety of metallic compounds: a new approach by flame-ion mass spectrometry

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    95. TERAISHI K
      EFFECT OF SI TO AL SUBSTITUTION AT NEXT-NEAREST-NEIGHBOR SITES ON THEACID STRENGTH 2 - LOW SI AL RATIO OR HIGH AMMONIA LOADING/

      MICROPOROUS AND MESOPOROUS MATERIALS
    96. JORGENSEN TJD; BOJESEN G; RAHBEKNIELSEN H
      THE PROTON AFFINITIES OF 7 MATRIX-ASSISTED-LASER-DESORPTION IONIZATION MATRICES CORRELATED WITH THE FORMATION OF MULTIPLY-CHARGED IONS/

      European mass spectrometry
    97. Grutzmacher, HF; Caltapanides, A
      Proton affinity of some substituted 2,6-dimethylbenzamides and their N,N-dimethyl derivatives: the susceptibility of the amide group to polar substituent effects

      EUROPEAN MASS SPECTROMETRY
    98. Vaisar, T; Urban, J
      Low-energy collision induced dissociation of protonated peptides. Importance of an oxazolone formation for a peptide bond cleavage

      EUROPEAN MASS SPECTROMETRY
    99. SASTRY M; GANGULY P
      DETERMINATION OF C-1S CORE-LEVEL CHEMICAL-SHIFTS IN SOME LANGMUIR-BLODGETT-FILMS USING A MODIFIED SANDERSON FORMALISM

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    100. SPARRAPAN R; MENDES MA; FERREIRA IPP; EBERLIN MN; SANTOS C; NOGUEIRA JC
      GAS-PHASE CHEMISTRY OF THE SULFUR-HEXAFLUORIDE FRAGMENT IONS SFN-5) AND SFN2+ (N=2, 4) - AB-INITIO THERMOCHEMISTRY OF NOVEL REACTIONS OF S+. AND SF+( (N=0)

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory


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Documento generato il 04/06/20 alle ore 23:48:01