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La ricerca find articoli where soggetti phrase all words 'WATER CLUSTERS' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 480 riferimenti
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    1. Dang, LX
      A mechanism for ion transport across the water/dichloromethane interface: A molecular dynamics study using polarizable potential models

      JOURNAL OF PHYSICAL CHEMISTRY B
    2. Schmitt, M; Plutzer, C; Kleinermanns, K
      Determination of the structures of benzotriazole(H2O)(1,2) clusters by IR-UV spectroscopy and ab initio theory

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    3. Tomsic, A; Markovic, N; Pettersson, JBC
      Molecular dynamics simulations of cluster-surface collisions: Mechanisms for monomer emission

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    4. Luchow, A; Spangenberg, D; Janzen, C; Jansen, A; Gerhards, M; Kleinermanns, K
      Structure and energetics of phenol(H2O)(n), n <= 7: Quantum Monte Carlo calculations and double resonance experiments

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    5. Ohshimo, K; Tsunoyama, H; Misaizu, F; Ohno, K
      Intracluster electron transfer from a metal atom/cluster followed by anionic oligomerization of vinyl molecules

      EUROPEAN PHYSICAL JOURNAL D
    6. Masamura, M
      The effect of basis set superposition error on the convergence of interaction energies

      THEORETICAL CHEMISTRY ACCOUNTS
    7. Spangler, GE
      Characterization of the ion-sampling pinhole interface for an ion mobilityspectrometer/mass spectrometer system

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    8. Gilligan, JJ; McCunn, LR; Leskiw, BD; Herman, Z; Castleman, AW
      Associative ionization of excited sodium species with various ligands: assessing relative bonding strengths of ion-ligand interactions

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    9. Hutson; Gerber; Nesbitt; Saykally; Szalewicz; Miller; Mestdagh; McCoy; Garrett; van Mourik; Zwier; Clary; Dopfer; Knowles; Costa; Neumark; Suhm
      General discussion

      FARADAY DISCUSSIONS
    10. Wheatley; Szalewicz; Dopfer; Mestdagh; Suhm; Clary; Bacic; Halberstadt; van der Avoird; Saykally; Stone; Wrede; Dagdigian; Bunker; Wheeler; Knowles; Wales; Gerber
      General discussion

      FARADAY DISCUSSIONS
    11. Fernandez, JA; Unamuno, I; Longarte, A; Castano, F
      S-0, S-1, and ion I-0 binding energies of the p-methoxyphenethylamine(H2O)(1-4) complexes

      JOURNAL OF PHYSICAL CHEMISTRY A
    12. Mons, M; Dimicoli, I; Tardivel, B; Piuzzi, F; Robertson, EG; Simons, JP
      Energetics of the gas phase hydrates of trans-formanilide: A microscopic approach to the hydration sites of the peptide bond

      JOURNAL OF PHYSICAL CHEMISTRY A
    13. Gilligan, JJ; Castleman, AW
      Direct experimental evidence for reactions between dissolved acid halide and chlorine nitrate

      JOURNAL OF PHYSICAL CHEMISTRY A
    14. Lovejoy, ER; Curtius, J
      Cluster ion thermal decomposition (II): Master equation modeling in the low-pressure limit and fall-off regions. Bond energies for HSO4-(H2SO4)(x)(HNO3)(y)

      JOURNAL OF PHYSICAL CHEMISTRY A
    15. Saeki, M; Ishiuchi, S; Sakai, M; Fujii, M
      Structure of 1-naphthol/alcohol clusters studied by IR dip spectroscopy and ab initio molecular orbital calculations

      JOURNAL OF PHYSICAL CHEMISTRY A
    16. Tsunoyama, H; Ohshimo, K; Misaizu, F; Ohno, K
      Intracluster electron transfer and reactions in alkali metal-methacrylate clusters

      JOURNAL OF PHYSICAL CHEMISTRY A
    17. Chaudhuri, C; Jiang, JC; Wu, CC; Wang, X; Chang, HC
      Characterization of protonated formamide-containing clusters by infrared spectroscopy and ab initio calculations. II. Hydration of formamide in the gas phase

      JOURNAL OF PHYSICAL CHEMISTRY A
    18. Sakai, M; Daigoku, K; Ishiuchi, S; Saeki, M; Hashimoto, K; Fujii, M
      Structures of carbazole-(H2O)(n) (n=1-3) clusters studied by IR dip spectroscopy and a quantum chemical calculation

      JOURNAL OF PHYSICAL CHEMISTRY A
    19. Kubicki, JD
      Self-consistent reaction field calculations of aqueous Al3+, Fe3+, and Si4+: Calculated aqueous-phase deprotonation energies correlated with experimental In(K-a) and pK(a)

      JOURNAL OF PHYSICAL CHEMISTRY A
    20. Lee, EPF; Soldan, P; Wright, TG
      Structure and binding energies of monohydrated Cd and Cd2+

      JOURNAL OF PHYSICAL CHEMISTRY A
    21. Christie, RA; Jordan, KD
      Theoretical investigation of the H3O+(H2O)(4) cluster

      JOURNAL OF PHYSICAL CHEMISTRY A
    22. Khan, A
      Stabilization of hydrate structure H by N-2 and CH4 molecules in 4(3)5(6)6(3) and 5(12) cavities, and fused structure formation with 5(12)6(8) cage: A theoretical study

      JOURNAL OF PHYSICAL CHEMISTRY A
    23. Mantz, YA; Geiger, FM; Molina, LT; Trout, BL
      First-principles theoretical study of molecular HCl adsorption on a hexagonal ice (0001) surface

      JOURNAL OF PHYSICAL CHEMISTRY A
    24. Takasu, R; Nishikawa, K; Miura, N; Sabu, A; Hashimoto, K; Schulz, CP; Hertel, IV; Fuke, K
      Photodissociation spectroscopy of Li-H2O and Li-D2O complexes

      JOURNAL OF PHYSICAL CHEMISTRY A
    25. Fox, BS; Beyer, MK; Bondybey, VE
      Black body fragmentation of cationic ammonia clusters

      JOURNAL OF PHYSICAL CHEMISTRY A
    26. Geiger, FM; Pibel, CD; Hicks, JM
      The hydrolysis of chlorine nitrate on ice is autocatalytic

      JOURNAL OF PHYSICAL CHEMISTRY A
    27. Gordon, MS; Freitag, MA; Bandyopadhyay, P; Jensen, JH; Kairys, V; Stevens, WJ
      The effective fragment potential method: A QM-based MM approach to modeling environmental effects in chemistry

      JOURNAL OF PHYSICAL CHEMISTRY A
    28. Gane, MP; Williams, NA; Sodeau, JR
      A reflection-absorption infrared spectroscopy (RAIRS) investigation of thelow-temperature heterogeneous hydrolysis of bromine nitrate

      JOURNAL OF PHYSICAL CHEMISTRY A
    29. Lankau, T; Cooper, IL
      (H2O)(6) on a virtual metal surface: Testing the surface ice rules

      JOURNAL OF PHYSICAL CHEMISTRY A
    30. Bianco, R; Thompson, WH; Morita, A; Hynes, JT
      Is the H2OCl+ ion a viable intermediate for the hydrolysis of ClONO2 on ice surfaces?

      JOURNAL OF PHYSICAL CHEMISTRY A
    31. Thompson, WH; Hynes, JT
      Model study of the acid-base proton-transfer reaction of the ClP center dot center dot center dot OH2 pair in low-polarity solvents

      JOURNAL OF PHYSICAL CHEMISTRY A
    32. Laria, D; Rodriguez, J; Dellago, C; Chandler, D
      Dynamical aspects of isomerization and melting transitions in [H2O](8)

      JOURNAL OF PHYSICAL CHEMISTRY A
    33. Counterman, AE; Hilderbrand, AE; Barnes, CAS; Clemmer, DE
      Formation of peptide aggregates during ESI: Size, charge, composition, andcontributions to noise

      JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
    34. Wu, JL; Wesdemiotis, C
      Complexes of Li atoms with formaldehyde (LiOCH2) and formaldimine (LiNHCH2): Stability via electrostatic and charge transfer interactions

      JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
    35. Shevkunov, SV
      A mechanism of melting of microscopic ice particles: Numerical experiment

      DOKLADY PHYSICS
    36. Su, W; You, ZD; Zhong, ZQ; Chen, DZ; Guo, LH
      Cluster of water molecules in garnet of eclogite: an evidence of the existence of fluid during ultra-high pressure metamorphic process.

      ACTA PETROLOGICA SINICA
    37. Loerting, T; Liedl, KR
      The reaction rate constant of chlorine nitrate hydrolysis

      CHEMISTRY-A EUROPEAN JOURNAL
    38. Kornyshev, AA; Nitzan, A
      Effect of overscreening on the localization of hydrated electrons

      ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS
    39. Lu, HL; Matsumoto, R; Tsuji, Y; Oda, H
      Anion plays a more important role than cation in affecting gas hydrate stability in electrolyte solution? a recognition from experimental results

      FLUID PHASE EQUILIBRIA
    40. Jalbout, AF; Smets, J; Adamowicz, L
      Anions of the hydrogen-bonded thymine dimer: ab initio study

      CHEMICAL PHYSICS
    41. Marinelli, F; Allouche, A
      An ab initio study of acetone and formaldehyde monolayers adsorbed on ice

      CHEMICAL PHYSICS
    42. Milet, A; Struniewicz, C; Moszynski, R; Sadlej, J; Kisiel, Z; Bialkowska-Jaworska, E; Pszczolkowski, L
      Structure and properties of the weakly bound trimer (H2O)(2)HCl. Theoretical predictions and comparison with high-resolution rotational spectroscopy

      CHEMICAL PHYSICS
    43. Chaudhury, P; Saha, R; Bhattacharyya, SP
      Structure and vibrational spectroscopy of halide ion hydrates: a study based on genetic algorithm

      CHEMICAL PHYSICS
    44. Derbyshire, W; Hedges, ND; Lillford, PJ; Norton, IT
      The influence of a mixed anionic system on the aggregation behaviour of agarose

      FOOD HYDROCOLLOIDS
    45. Kim, KY; Cho, UI; Boo, DW
      Ab initio study on structures, energies and vibrations of methylammonium-(water)(n) (n=1-3) complexes

      BULLETIN OF THE KOREAN CHEMICAL SOCIETY
    46. Shevkunov, SV; Vegiri, A
      Equilibrium structures of the N = 64 water cluster in the presence of external electric fields

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    47. Dykstra, CE
      Intermolecular electrical response

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    48. Muta, H; Kojima, R; Kawauchi, S; Tachibana, A; Satoh, M
      Ion-specificity for hydrogen-bonding hydration of polymer: an approach by ab initio molecular orbital calculations

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    49. Rudolph, WW; Mason, R
      Study of aqueous Al-2(SO4)(3) solution under hydrothermal conditions: Sulfate ion pairing, hydrolysis, and formation of hydronium alunite

      JOURNAL OF SOLUTION CHEMISTRY
    50. Wang, XB; Yang, X; Nicholas, JB; Wang, LS
      Bulk-like features in the photoemission spectra of hydrated doubly chargedanion clusters

      SCIENCE
    51. Bochkarev, AV
      Calculation of beta-factors for aqua- and aminocomplexes of lithium

      RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY
    52. Giniger, R; Hippler, T; Ronen, S; Cheshnovsky, O
      Resolution enhancement in the magnetic bottle photoelectron spectrometer by impulse electron deceleration

      REVIEW OF SCIENTIFIC INSTRUMENTS
    53. Zimmermann, D; Haber, T; Schaal, H; Suhm, MA
      Hydrogen bonded rings, chains and lassos: the case of t-butyl alcohol clusters

      MOLECULAR PHYSICS
    54. Bartels, DM
      Moment analysis of hydrated electron cluster spectra: Surface or internal states?

      JOURNAL OF CHEMICAL PHYSICS
    55. Roszak, S; Kowal, M; Gora, RW; Leszczynski, J
      The influence of the detachment of electrons on the properties and the nature of interactions in X-H2O (X=Cl, Br) complexes

      JOURNAL OF CHEMICAL PHYSICS
    56. Wormer, PES; Groenenboom, GC; van der Avoird, A
      Ab initio prediction of the vibration-rotation-tunneling spectrum of HCl-(H2O)(2)

      JOURNAL OF CHEMICAL PHYSICS
    57. Yang, X; Wang, XB; Wang, LS
      Photodetachment of F-(H2O)(n) (n=1-4): Observation of charge-transfer states [F-(H2O)(n)(+)] and the transition state of F+H2O hydrogen abstraction reaction

      JOURNAL OF CHEMICAL PHYSICS
    58. Iyengar, SS; Schlegel, HB; Millam, JM; Voth, GA; Scuseria, GE; Frisch, MJ
      Ab initio molecular dynamics: Propagating the density matrix with Gaussianorbitals. II. Generalizations based on mass-weighting, idempotency, energyconservation and choice of initial conditions

      JOURNAL OF CHEMICAL PHYSICS
    59. Tomsic, A; Andersson, PU; Markovic, N; Piskorz, W; Svanberg, M; Pettersson, JBC
      Molecular-dynamics simulations of cluster-surface collisions: Emission of large fragments

      JOURNAL OF CHEMICAL PHYSICS
    60. Kowal, M; Gora, RW; Roszak, S; Leszczynski, J
      I-H2O and its neutral precursors: Similarities and differences

      JOURNAL OF CHEMICAL PHYSICS
    61. Wu, X; Vargas, MC; Nayak, S; Lotrich, V; Scoles, G
      Towards extending the applicability of density functional theory to weaklybound systems

      JOURNAL OF CHEMICAL PHYSICS
    62. Kropman, MF; Bakker, HJ
      Femtosecond mid-infrared spectroscopy of aqueous solvation shells

      JOURNAL OF CHEMICAL PHYSICS
    63. Li, GP; Reinhart, B; Hamilton, IP
      The complex of HF2- and H2O: A theoretical study

      JOURNAL OF CHEMICAL PHYSICS
    64. Liu, HC; Guo, WU; Yang, SJ
      Photodissociation studies of microsolvated metal cation complexes Mg+(NCCH3)(n) (n=1-4)

      JOURNAL OF CHEMICAL PHYSICS
    65. Weber, JM; Kelley, JA; Robertson, WH; Johnson, MA
      Hydration of a structured excess charge distribution: Infrared spectroscopy of the O-2(-)center dot(H2O)(n), (1 <= n <= 5) clusters

      JOURNAL OF CHEMICAL PHYSICS
    66. Wang, F; Jordan, KD
      A Drude-model approach to dispersion interactions in dipole-bound anions

      JOURNAL OF CHEMICAL PHYSICS
    67. Clary, DC
      Torsional diffusion Monte Carlo: A method for quantum simulations of proteins

      JOURNAL OF CHEMICAL PHYSICS
    68. Schlegel, HB; Millam, JM; Iyengar, SS; Voth, GA; Daniels, AD; Scuseria, GE; Frisch, MJ
      Ab initio molecular dynamics: Propagating the density matrix with Gaussianorbitals

      JOURNAL OF CHEMICAL PHYSICS
    69. Buchachenko, AA; Szczesniak, MM; Chalasinski, G
      Ab initio zero electron kinetic energy spectroscopy of the ArCl- and KrCl-anions

      JOURNAL OF CHEMICAL PHYSICS
    70. Clements, TG; Luong, AK; Deyerl, HJ; Continetti, RE
      Dissociative photodetachment studies of O-(H2O)(2), OH-(H2O)(2), and the deuterated isotopomers: Energetics and three-body dissociation dynamics

      JOURNAL OF CHEMICAL PHYSICS
    71. Bruni, F; Ricci, MA; Soper, AK
      Structural characterization of NaOH aqueous solution in the glass and liquid states

      JOURNAL OF CHEMICAL PHYSICS
    72. Schaaf, P; Senger, B; Voegel, JC; Bowles, RK; Reiss, H
      Simulative determination of kinetic coefficients for nucleation rates

      JOURNAL OF CHEMICAL PHYSICS
    73. Mantz, YA; Geiger, FM; Molina, LT; Molina, MJ; Trout, BL
      The interaction of HCl with the (0001) face of hexagonal ice studied theoretically via Car-Parrinello molecular dynamics

      CHEMICAL PHYSICS LETTERS
    74. Focsa, C; Destombes, JL
      Na/K(H2O)(n) clusters produced by laser desorption of Na/K salt doped ice

      CHEMICAL PHYSICS LETTERS
    75. Yoshida, S; Okai, N; Fuke, K
      Photodissociation of Mg+(NH3) ion

      CHEMICAL PHYSICS LETTERS
    76. Angel, L; Stace, A
      Dissociation patterns of (H2O)(n)(+) cluster ions, for n=2-6

      CHEMICAL PHYSICS LETTERS
    77. Novakovskaya, YV; Stepanov, NF
      Electron hydration: interface shells

      CHEMICAL PHYSICS LETTERS
    78. Struniewicz, C; Korona, T; Moszynski, R; Milet, A
      Theoretical predictions of vibration-rotation-tunneling dynamics of the weakly bound trimer (H2O)(2)HCl

      CHEMICAL PHYSICS LETTERS
    79. Smets, J; Jalbout, AF; Adamowicz, L
      Anions of the hydrogen-bonded guanine-cytosine dimer - theoretical study

      CHEMICAL PHYSICS LETTERS
    80. Andres, J; Canle, M; Garcia, MV; Vazquez, LFR; Santaballa, JA
      A B3LYP/6-31G** study on the chlorination of ammonia by hypochlorous acid

      CHEMICAL PHYSICS LETTERS
    81. Tzeli, D; Mavridis, A; Xantheas, SS
      A molecular level study of the aqueous microsolvation of acetylene

      CHEMICAL PHYSICS LETTERS
    82. Khan, A
      Theoretical studies of NH4+ (H2O)(20) and NH3(H2O)(20)H+ clusters

      CHEMICAL PHYSICS LETTERS
    83. Matsumoto, Y; Ebata, T; Mikami, N
      OH stretching vibrations and hydrogen-bonded structures of 7-hydroxyquinoline-(H2O)(1-3) investigated by IR-UV double-resonance spectroscopy

      CHEMICAL PHYSICS LETTERS
    84. Sadlej, J
      Theoretical study of structure and spectra of cage clusters (H2O)(n), n=11,12

      CHEMICAL PHYSICS LETTERS
    85. Meuwly, M; Bach, A; Leutwyler, S
      Grotthus-type and diffusive proton transfer in 7-hydroxyquinoline center dot(NH3)(n) clusters

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    86. Tsunoyama, H; Ohshimo, K; Misaizu, F; Ohno, K
      Intracluster anionic oligomerization of acrylic ester molecules initiated by electron transfer from an alkali metal atom

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    87. Bolton, K; Pettersson, JBC
      Ice-catalyzed ionization of hydrochloric acid

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    88. Guo, H; Gresh, N; Roques, BP; Salahub, DR
      Many-body effects in systems of peptide hydrogen-bonded networks and theircontributions to ligand binding: A comparison of the performances of DFT and polarizable molecular mechanics

      JOURNAL OF PHYSICAL CHEMISTRY B
    89. Jungwirth, P; Tobias, DJ
      Surface effects on aqueous ionic solvation: A molecular dynamics simulation study of NaCl at the air/water interface from infinite dilution to saturation

      JOURNAL OF PHYSICAL CHEMISTRY B
    90. Menzel, C; Zacharias, H
      The internal energy of small ammonia clusters in a supersonic beam and after scattering off LiF(100)

      EUROPEAN PHYSICAL JOURNAL D
    91. Cacace, F; de Petris, G
      Mass spectrometric study of simple main group molecules and ions importantin atmospheric processes

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    92. Deyerl, HJ; Luong, AK; Clements, TG; Continetti, RE
      Transition state dynamics of the OH+H2O hydrogen exchange reaction studiedby dissociative photodetachment of H3O2-

      FARADAY DISCUSSIONS
    93. Shluger, AL; Tanimura, K
      Laser-induced reactions in crystals: Femtosecond pump-probe spectroscopy and ab initio calculations of self-trapped excitons and holes in KBr

      PHYSICAL REVIEW B
    94. Provencal, RA; Casaes, RN; Roth, K; Paul, JB; Chapo, CN; Saykally, RJ; Tschumper, GS; Schaefer, HF
      Hydrogen bonding in alcohol clusters: A comparative study by infrared cavity ringdown laser absorption spectroscopy

      JOURNAL OF PHYSICAL CHEMISTRY A
    95. Ullrich, S; Geppert, WD; Dessent, CEH; Muller-Dethlefs, K
      Observation of rotational isomers I: A ZEKE and hole-burning spectroscopy study of 3-methoxyphenol

      JOURNAL OF PHYSICAL CHEMISTRY A
    96. Geppert, WD; Ullrich, S; Dessent, CEH; Muller-Dethlefs, K
      Observation of rotational isomers II: A ZEKE and hole-burning spectroscopystudy of hydrogen-bonded 3-methoxyphenol center dot water clusters

      JOURNAL OF PHYSICAL CHEMISTRY A
    97. Amicangelo, JC; Armentrout, PB
      Absolute binding energies of alkali-metal cation complexes with benzene determined by threshold collision-induced dissociation experiments and ab initio theory

      JOURNAL OF PHYSICAL CHEMISTRY A
    98. Lovejoy, ER; Bianco, R
      Temperature dependence of cluster ion decomposition in a quadrupole ion trap

      JOURNAL OF PHYSICAL CHEMISTRY A
    99. Feller, D; Jordan, KD
      Estimating the strength of the water/single-layer graphite interaction

      JOURNAL OF PHYSICAL CHEMISTRY A
    100. Wu, CC; Jiang, JC; Hahndorf, I; Chaudhuri, C; Lee, YT; Chang, HC
      Characterization of protonated formamide-containing clusters by infrared spectroscopy and ab initio calculations: I. O-protonation

      JOURNAL OF PHYSICAL CHEMISTRY A


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Documento generato il 22/10/20 alle ore 09:04:06