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    1. Bureau, C; Doneux, C; Charlier, J; Anthoine, JL; Chong, DP
      Ring hydrolysis in the electro-oxidation of pyrrolidone analogues

      JOURNAL OF ELECTROANALYTICAL CHEMISTRY
    2. Dudev, T; Lim, C
      Modeling Zn2+-cysteinate complexes in proteins

      JOURNAL OF PHYSICAL CHEMISTRY B
    3. Wang, JM; Wang, W; Huo, SH; Lee, M; Kollman, PA
      Solvation model based on weighted solvent accessible surface area

      JOURNAL OF PHYSICAL CHEMISTRY B
    4. Berny, F; Wipff, G
      Interaction of M3+ lanthanide cations with amide, urea, thioamide and thiourea ligands: a quantum mechanical study

      JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
    5. Ochran, RA; Mayer, PM
      Ion rearrangement at the beginning of cluster formation: methyl substitution effects on the internal S(N)2 reaction in the proton-bound dimers of acetonitrile and alcohols

      EUROPEAN JOURNAL OF MASS SPECTROMETRY
    6. Zhang, Q; Kemper, PR; Bowers, MT
      Fe(CH4)(n)(+) and Ni(CH4)(n)(+) clusters: experimental and theoretical bond energies for n=1-6

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    7. Grutzmacher, HF; Zoric, S; Wellbrock, C
      Complexation of transition metal ions M+ (M = Fe, Co, Ni, Cu, Zn, Ag) by [2.n]paracyclophane-enes (n = 3, 4, 5, 6) in the gas phase: effect of the molecular cavity on the complexation capability

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    8. Plattner, DA
      Electrospray mass spectrometry beyond analytical chemistry: studies of organometallic catalysis in the gas phase

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    9. Shi, Y; Spasov, VA; Ervin, KM
      Photodesorption of carbonyl from Pt-3(CO)(n)(-) (n=1-6)

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    10. Zhang, Q; Kemper, PR; Shin, SK; Bowers, MT
      Sigma bond activation by transition metal ions: the Co(CH4)(n)(+) systems revisited

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    11. Aliev, GN; Puls, J; Parthier, L; Henneberger, F; Heimbrodt, W
      LO-phonon assisted tunneling from spatially direct to indirect exciton in semimagnetic double quantum well structures

      PHYSICA E
    12. Luo, K; Kim, DY; Goodman, DW
      The nucleation and growth of gold on silica

      JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL
    13. Ramaiah, KS; Raja, VS
      AES and XPS analyses of CuIn(S1-xSex)(2) thin films grown by spray pyrolysis technique

      SCRIPTA MATERIALIA
    14. Bondybey, VE; Beyer, MK
      Temperature effects in transition metal ion and cluster ion reactions

      JOURNAL OF PHYSICAL CHEMISTRY A
    15. Jockusch, RA; Lemoff, AS; Williams, ER
      Hydration of valine-cation complexes in the gas phase: On the number of water molecules necessary to form a zwitterion

      JOURNAL OF PHYSICAL CHEMISTRY A
    16. Duncan, MA; Knight, AM; Negishi, Y; Nagao, S; Judai, K; Nakajima, A; Kaya, K
      Photoelectron spectroscopy of V-x(coronene)(y) and Ti-x(coronene)(y) anions

      JOURNAL OF PHYSICAL CHEMISTRY A
    17. Petrie, S
      An improved theoretical sodium cation affinity scale?

      JOURNAL OF PHYSICAL CHEMISTRY A
    18. Fronzoni, G; Colavita, P; Stener, M; De Alti, G; Decleva, P
      Theoretical study of photoionization processes in Fe(C5H5)(2)

      JOURNAL OF PHYSICAL CHEMISTRY A
    19. Cedeno, DL; Weitz, E; Berces, A
      Bonding interactions in olefin (C2X4, X = H, F, Cl, Br, I, CN) iron tetracarbonyl complexes: Role of the deformation energy in bonding and reactivity

      JOURNAL OF PHYSICAL CHEMISTRY A
    20. Nolan, EM; Linck, RG
      An exploration of long range electronic effects in substituted alkanes

      JOURNAL OF PHYSICAL CHEMISTRY A
    21. Zhou, MF; Zhang, LN; Shao, LM; Wang, WN; Fan, KN; Qin, QZ
      Reactions of Mn with H2O and MnO with H-2. Matrix-isolation FTIR and quantum chemical studies

      JOURNAL OF PHYSICAL CHEMISTRY A
    22. Campanelli, AR; Ramondo, F; Domenicano, A; Hargittai, I
      Stereoelectronic effects in the Si-C bond: A study of the molecular structure and conformation of tetraphenylsilane by gas-phase electron diffractionand theoretical calculations

      JOURNAL OF PHYSICAL CHEMISTRY A
    23. Wang, HY; Huang, RB; Chen, H; Lin, MH; Zheng, LS
      Studies of Linear CnSe- (1 <= n <= 11) clusters produced from laser ablation: Collision-induced dissociation and ab initio calculations

      JOURNAL OF PHYSICAL CHEMISTRY A
    24. Bushnell, JE; Kemper, PR; van Koppen, P; Bowers, MT
      Mechanistic and energetic details of adduct formation and sigma-bond activation in Zr+(H-2)(n) clusters

      JOURNAL OF PHYSICAL CHEMISTRY A
    25. Koizumi, H; Zhang, XG; Armentrout, PB
      Collision-induced dissociation and theoretical studies of Cu+-dimethyl ether complexes

      JOURNAL OF PHYSICAL CHEMISTRY A
    26. Barsch, S; Schroder, D; Schwarz, H; Armentrout, PB
      Methane to methanethiol conversion by FeS+. A combined experimental and theoretical study

      JOURNAL OF PHYSICAL CHEMISTRY A
    27. Fernandez-Nieves, A; van Duijneveldt, JS; Fernandez-Barbero, A; Vincent, B; de las Nieves, FJ
      Structure formation from mesoscopic soft particles - art. no. 051603

      PHYSICAL REVIEW E
    28. Wang, W; Donini, O; Reyes, CM; Kollman, PA
      Biomolecular simulations: Recent developments in force fields, simulationsof enzyme catalysis, protein-ligand, protein-protein, and protein-nucleic acid noncovalent interactions

      ANNUAL REVIEW OF BIOPHYSICS AND BIOMOLECULAR STRUCTURE
    29. Blondel, C; Delsart, C; Valli, C; Yiou, S; Godefroid, MR; Van Eck, S
      Electron affinities of O-16, O-17, O-18, the fine structure of O-16(-), and the hyperfine structure of O-17(-) - art. no. 052504

      PHYSICAL REVIEW A
    30. Luna, H; Zappa, F; Martins, MHP; Magalhaes, SD; Jalbert, G; Coelho, LFS; Faria, NVD
      Comparative study of the collisional electron detachment of C-, Si-, and Ge- by light noble gases - art. no. 052716

      PHYSICAL REVIEW A
    31. Koizumi, H; Armentrout, PB
      Collision-induced dissociation and theoretical studies of Cu+-dimethoxyethane complexes

      JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
    32. Smith, BJ; Colman, PM; Von Itzstein, M; Danylec, B; Varghese, JN
      Analysis of inhibitor binding in influenza virus neuraminidase

      PROTEIN SCIENCE
    33. Boehme, C; Wipff, G
      The energetic and structural effects of steric crowding in phosphate and dithiophosphinate complexes of lanthanide cations M3+: A computational study

      CHEMISTRY-A EUROPEAN JOURNAL
    34. Feichtinger, D; Plattner, DA
      Probing the reactivity of oxomanganese-salen complexes: An electrospray tandem mass spectrometric study of highly reactive intermediates

      CHEMISTRY-A EUROPEAN JOURNAL
    35. Morel, A; Lefebvre, P; Taliercio, T; Gallart, M; Gil, B; Mathieu, H
      Donor binding energies in group III-nitride-based quantum wells: influenceof internal electric fields

      MATERIALS SCIENCE AND ENGINEERING B-SOLID STATE MATERIALS FOR ADVANCED TECHNOLOGY
    36. Oliveira, LE; Duque, CA; Porras-Montenegro, N; de Dios-Leyva, M
      Shallow-donor states in semiconductor heterostructures within the fractional-dimensional space approach

      PHYSICA B
    37. Kellogg, GE; Burnett, JC; Abraham, DJ
      Very empirical treatment of solvation and entropy: a force field derived from Log P-o/w

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    38. Leach, AR; Green, DVS
      Computational chemistry in lead identification, library design and lead optimisation

      MOLECULAR SIMULATION
    39. Arora, N; Bashford, D
      Solvation energy density occlusion approximation for evaluation of desolvation penalties in biomolecular interactions

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    40. Burnett, JC; Botti, P; Abraham, DJ; Kellogg, GE
      Computationally accessible method for estimating free energy changes resulting from site-specific mutations of biomolecules: Systematic model building and structural/hydropathic analysis of deoxy and oxy hemoglobins

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    41. Molina-Bolivar, JA; Galisteo-Gonzalez, F; Hidalgo-Alvarez, R
      Fractal aggregates induced by antigen-antibody interaction

      LANGMUIR
    42. Kamada, H; Nogga, A; Glockle, W; Hiyama, E; Kamimura, M; Varga, K; Suzuki, Y; Viviani, M; Kievsky, A; Rosati, S; Carlson, J; Pieper, SC; Wiringa, RB; Navratil, P; Barrett, BR; Barnea, N; Leidemann, W; Orlandini, G
      Benchmark test calculation of a four-nucleon bound state - art. no. 044001

      PHYSICAL REVIEW C
    43. Amghar, A; Desplanques, B; Theussl, L
      From the Bethe-Salpeter equation to nonrelativistic approaches with effective two-body interactions

      NUCLEAR PHYSICS A
    44. Urciuoli, GM; Brindza, P; Bydzovsky, P; Chang, CC; Cisbani, E; Cusanno, F; De Leo, R; Frullani, S; Garibaldi, F; Iodice, M; Lagambe, L; Lassiter, S; Le Rose, JJ; Markowitz, P; Sotona, M
      Electroproduction of hypernuclei: an experimental challenge

      NUCLEAR PHYSICS A
    45. Hasegawa, M; Kaneko, K; Tazaki, S
      Improvement of the extended P+QQ interaction by modifying the monopole field

      NUCLEAR PHYSICS A
    46. Ferreira, EC; da Costa, JAP; Freire, JAK; Freire, VN; Farias, GA
      Interface-related effects on the confined excitons in GaAs/AlxGa1-xAs double quantum wells

      JOURNAL OF THE KOREAN PHYSICAL SOCIETY
    47. Crispin, X; Lazzaroni, R; Crispin, A; Geskin, VM; Bredas, JL; Salaneck, WR
      Understanding the initial stages of polymer grafting on metals: a photoelectron spectroscopy study of acrylonitrile adsorption on transition metal surfaces

      JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA
    48. Matos-Abiague, A
      Bose-like oscillator in fractional-dimensional space

      JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL
    49. Gambhir, YK
      Success and limits of the relativistic mean field description of nuclear properties

      PRAMANA-JOURNAL OF PHYSICS
    50. Khan, MA; Das, TK
      Study of Lambda Lambda dynamics and ground state structure of low and medium mass double Lambda hypernuclei

      PRAMANA-JOURNAL OF PHYSICS
    51. Cooper, L; Shpinkova, LG; Holland, DMP; Shaw, DA
      A study of the threshold photoelectron spectra and the photoionisation yield curves of the silicon tetrahalides

      CHEMICAL PHYSICS
    52. Zhang, XG; Armentrout, PB
      Sequential bond energies of Pt(CO)(x)(+) (x=1-4) determined by collision-induced dissociation

      ORGANOMETALLICS
    53. Khan, MA; Das, TK
      Study of the excited state of double-A hypernuclei by hyperspherical supersymmetric approach

      INTERNATIONAL JOURNAL OF MODERN PHYSICS E-NUCLEAR PHYSICS
    54. Wang, JM; Kollman, PA
      Automatic parameterization of force field by systematic search and geneticalgorithms

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    55. Endo, K; Koizumi, S; Otsuka, T; Suhara, M; Morohasi, T; Kurmaev, EZ; Chong, DP
      Analysis of XPS and XES of diamond and graphite by DFT calculations using model molecules

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    56. Giorgi, R; Ascarelli, P; Turtu, S; Contini, V
      Nanosized metal catalysts in electrodes for solid polymeric electrolyte fuel cells: an XPS and XRD study

      APPLIED SURFACE SCIENCE
    57. Guo, JZ; Goodings, JM
      A density functional study of the structures and ionization energies of some scandium compounds with hydrogen and oxygen

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    58. Bu, YX
      Distance dependence analysis of the electron transfer reactivity for the metastable Fe2+OH2/Fe3+OH2 system: an ab initio investigation

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    59. Melnikov, DV; Fowler, WB
      Bound polaron in a spherical quantum dot: The all-coupling variational approach - art. no. 195335

      PHYSICAL REVIEW B
    60. Wagner, HP; Kuhnelt, M; Wenisch, H; Hommel, D
      Determination of band offset using continuous-wave two-photon excitation in a ZnSe quantum-well waveguide structure - art. no. 235319

      PHYSICAL REVIEW B
    61. Zhao, QX; Wongmanerod, S; Willander, M; Holtz, PO; Wang, SM; Sadeghi, M
      Electronic structure of beryllium acceptors confined in GaAs/AlxGa1-xAs quantum wells - art. no. 195317

      PHYSICAL REVIEW B
    62. Guittet, MJ; Crocombette, JP; Gautier-Soyer, M
      Bonding and XPS chemical shifts in ZrSiO4 versus SiO2 and ZrO2: Charge transfer and electrostatic effects - art. no. 125117

      PHYSICAL REVIEW B
    63. Wang, F; Chen, AB
      Calculations of acceptor ionization energies in GaN - art. no. 125212

      PHYSICAL REVIEW B
    64. Kotlyar, R; Reinecke, TL; Bayer, M; Forchel, A
      Zeeman spin splittings in semiconductor nanostructures - art. no. 085310

      PHYSICAL REVIEW B
    65. Smondyrev, MA; Shanenko, AA; Devreese, JT
      Stability criterion for large bipolarons in a polaron-gas background - art. no. 024302

      PHYSICAL REVIEW B
    66. Armentrout, PB
      Reactions and thermochemistry of small transition metal cluster ions

      ANNUAL REVIEW OF PHYSICAL CHEMISTRY
    67. Sek, G; Ryczko, K; Misiewicz, J; Bayer, M; Klopf, F; Reithmaier, JP; Forchel, A
      Photoreflectance spectroscopy of vertically coupled InGaAs/GaAs double quantum dots

      SOLID STATE COMMUNICATIONS
    68. Xu, MC; Qian, HJ; Liu, FQ; Ibrahim, K; Lai, WY; Wu, SC
      Ultrathin Pb film growth on Cu(111) studied by photoemission

      SOLID STATE COMMUNICATIONS
    69. Molina-Cuberos, GJ; Lammer, H; Stumptner, W; Schwingenschuh, K; Rucker, HO; Lopez-Moreno, JJ; Rodrigo, R; Tokano, T
      Ionospheric layer induced by meteoric ionization in Titan's atmosphere

      PLANETARY AND SPACE SCIENCE
    70. Takahashi, H; Ahn, JK; Akikawa, H; Aoki, S; Arai, K; Bahk, SY; Baik, KM; Bassalleck, B; Chung, JH; Chung, MS; Davis, DH; Fukuda, T; Hoshino, K; Ichikawa, A; Ieiri, M; Imai, K; Iwata, YH; Iwata, YS; Kanda, H; Kaneko, M; Kawai, T; Kawasaki, M; Kim, CO; Kim, JY; Kim, SJ; Kim, SH; Kondo, Y; Kouketsu, T; Lee, YL; McNabb, JWC; Mitsuhara, M; Nagase, Y; Nagoshi, C; Nakazawa, K; Noumi, H; Ogawa, S; Okabe, H; Oyama, K; Park, HM; Park, IG; Parker, J; Ra, YS; Rhee, JT; Rusek, A; Shibuya, H; Sim, KS; Saha, PK; Seki, D; Sekimoto, M; Song, JS; Takahashi, T; Takeutchi, F; Tanaka, H; Tanida, K; Tojo, J; Torii, H; Torikai, S; Tovee, DN; Ushida, N; Yamamoto, K; Yasuda, N; Yang, JT; Yoon, CJ; Yoon, CS; Yosoi, M; Yoshida, T; Zhu, L
      Observation of a He-6(Lambda Lambda) double hypernucleus - art. no. 212502

      PHYSICAL REVIEW LETTERS
    71. Bilodeau, RC; Scheer, M; Haugen, HK
      Control of near-threshold detachment cross sections via laser polarization- art. no. 143001

      PHYSICAL REVIEW LETTERS
    72. Cadman, RV; Brack, J; Cummings, WJ; Fedchak, JA; Fox, BD; Gao, H; Glockle, W; Golak, J; Grosshauser, C; Holt, RJ; Jones, CE; Kamada, H; Kinney, ER; Miller, MA; Nagengast, W; Nogga, A; Owen, BR; Rith, K; Schmidt, F; Schulte, EC; Sowinski, J; Sperisen, F; Thorsland, EL; Tobey, R; Wilbert, J; Witala, H
      Evidence for a three-nucleon-force effect in proton-deuteron elastic scattering

      PHYSICAL REVIEW LETTERS
    73. Rakhlina, YG; Kozlov, MG; Porsev, SG
      The energy of electron affinity to a zirconium atom

      OPTICS AND SPECTROSCOPY
    74. Innorta, G; Torroni, S; Maranzana, A; Tonachini, G
      Entropy effects in gas phase ion-molecule association reactions

      JOURNAL OF ORGANOMETALLIC CHEMISTRY
    75. Reyes-Gomez, E; Matos-Abiague, A; de Dios-Leyva, M; Oliveira, LE
      The fractional-dimensional space approach to MBE-grown quantum-sized semiconductor low-dimensional systems

      JOURNAL OF CRYSTAL GROWTH
    76. Feller, D; Dixon, DA
      Extended benchmark studies of coupled cluster theory through triple excitations

      JOURNAL OF CHEMICAL PHYSICS
    77. Blom, MN; Hampe, O; Gilb, S; Weis, P; Kappes, MM
      Tunneling electron loss from isolated platinum tetrahalide dianions

      JOURNAL OF CHEMICAL PHYSICS
    78. Muntean, F; Armentrout, PB
      Guided ion beam study of collision-induced dissociation dynamics: integraland differential cross sections

      JOURNAL OF CHEMICAL PHYSICS
    79. Schirmer, J; Thiel, A
      An intermediate state representation approach to K-shell ionization in molecules. I. Theory

      JOURNAL OF CHEMICAL PHYSICS
    80. Skurski, P; Simons, J
      An excess electron bound to urea oligomers. II. Chains and ribbons

      JOURNAL OF CHEMICAL PHYSICS
    81. Parra, RD; Furukawa, M; Gong, B; Zeng, XC
      Energetics and cooperativity in three-center hydrogen bonding interactions. I. Diacetamide-X dimers (X=HCN, CH3OH)

      JOURNAL OF CHEMICAL PHYSICS
    82. Green, SME; Alex, S; Fleischer, NL; Millam, EL; Marcy, TP; Leopold, DG
      Negative ion photoelectron spectroscopy of the group 5 metal trimer monoxides V3O, Nb3O, and Ta3O

      JOURNAL OF CHEMICAL PHYSICS
    83. Barbatti, M; Jalbert, G; Nascimento, MAC
      The effects of the presence of an alkaline atomic cation in a molecular hydrogen environment

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

      JOURNAL OF CHEMICAL PHYSICS
    85. Shvartsburg, AA; Siu, KWM
      Dissociation kinetics of metal clusters on multiple electronic states including electronic level statistics into the vibronic soup

      JOURNAL OF CHEMICAL PHYSICS
    86. Bell, RC; Zemski, KA; Justes, DR; Castleman, AW
      Formation, structure and bond dissociation thresholds of gas-phase vanadium oxide cluster ions

      JOURNAL OF CHEMICAL PHYSICS
    87. Siu, FM; Ma, NL; Tsang, CW
      Alkali metal cation-ligand affinities: Basis set superposition correction for the Gaussian protocols

      JOURNAL OF CHEMICAL PHYSICS
    88. Lee, JI; Sperry, DC; Farrar, JM
      Spectroscopy and reactivity of size-selected Mg+-methanol clusters

      JOURNAL OF CHEMICAL PHYSICS
    89. Corella-Madueno, A; Rosas, R; Marin, JL; Riera, R
      Hydrogenic impurities in spherical quantum dots in a magnetic field

      JOURNAL OF APPLIED PHYSICS
    90. Reynolds, DC; Look, DC; Jogai, B; Molnar, RJ
      Evidence for shallow acceptors in GaN

      JOURNAL OF APPLIED PHYSICS
    91. Giorgi, L; Pozio, A; Bracchini, C; Giorgi, R; Turtu, S
      H-2 and H-2/CO oxidation mechanism on Pt/C, Ru/C and Pt-Ru/C electrocatalysts

      JOURNAL OF APPLIED ELECTROCHEMISTRY
    92. Marino, T; Russo, N; Toscano, M
      Potential energy surfaces for the gas-phase interaction between alpha-alanine and alkali metal ions (Li+, Na+, K+). A density functional study

      INORGANIC CHEMISTRY
    93. Trachtman, M; Markham, GD; Glusker, JP; George, P; Bock, CW
      Interactions of metal ions with water: Ab initio molecular orbital studiesof structure, vibrational frequencies, charge distributions, bonding enthalpies, and deprotonation enthalpies. 2. Monohydroxides

      INORGANIC CHEMISTRY
    94. Brandsdal, BO; Smalas, AO; Aqvist, J
      Electrostatic effects play a central role in cold adaptation of trypsin

      FEBS LETTERS
    95. Huang, YC; Su, PH; Yeh, CS
      Gas-phase studies of group-11 cation (Cu+, Ag+, and Au+) reactions with 2-propanol in a supersonic beam-expansion source

      BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
    96. Deutsch, PW; Curtiss, LA; Blaudeau, JP
      Electron affinities of germanium anion clusters, Ge-n(-) (n=2-5)

      CHEMICAL PHYSICS LETTERS
    97. Boutreau, L; Leon, E; Luna, A; Toulhoat, P; Tortajada, J
      Reactions between small organic molecules and Ag+ in the gas-phase. A theoretical study

      CHEMICAL PHYSICS LETTERS
    98. Brechignac, C; Cahuzac, P; Concina, B; Leygnier, J; Villard, B; Parneix, P; Brechignac, P
      Experimental evidence for anharmonic and rotational effects in the evaporation of sodium clusters

      CHEMICAL PHYSICS LETTERS
    99. Bonanni, B; Pelucchi, E; Rubini, S; Orani, D; Franciosi, A; Garulli, A; Parisini, A
      Excitonic properties and band alignment in lattice-matched ZnCdSe/ZnMgSe multiple-quantum-well structures

      APPLIED PHYSICS LETTERS
    100. Piana, S; Sebastiani, D; Carloni, P; Parrinello, M
      Ab initio molecular dynamics-based assignment of the protonation state of pepstatin A/HIV-1 protease cleavage site

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY


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Documento generato il 08/08/20 alle ore 02:32:54