AAAAAA

   
Results: 1-14 |
Results: 14
Structure and reactivity of semiconducting mineral surfaces: Convergence of molecular modeling and experiment
Authors: Rosso, KM
Citation: Km. Rosso, Structure and reactivity of semiconducting mineral surfaces: Convergence of molecular modeling and experiment, REV MIN GEO, 42, 2001, pp. 199-271
A computational quantum chemical study of the bonded interactions in earthmaterials and structurally and chemically related molecules
Authors: Gibbs, GV Boisen, MB Beverly, LL Rosso, KM
Citation: Gv. Gibbs et al., A computational quantum chemical study of the bonded interactions in earthmaterials and structurally and chemically related molecules, REV MIN GEO, 42, 2001, pp. 345-381
The proximity effect on semiconducting mineral surfaces: A new aspect of mineral surface reactivity and surface complexation theory?
Authors: Becker, U Rosso, KM Hochella, MF
Citation: U. Becker et al., The proximity effect on semiconducting mineral surfaces: A new aspect of mineral surface reactivity and surface complexation theory?, GEOCH COS A, 65(16), 2001, pp. 2641-2649
Step edges on galena (100): Probing the basis for defect driven surface reactivity at the atomic scale
Authors: Becker, U Rosso, KM
Citation: U. Becker et Km. Rosso, Step edges on galena (100): Probing the basis for defect driven surface reactivity at the atomic scale, AM MINERAL, 86(7-8), 2001, pp. 862-870
Structures and energies of AlOOH and FeOOH polymorphs from plane wave pseudopotential calculations
Authors: Rosso, KM Rustad, JR
Citation: Km. Rosso et Jr. Rustad, Structures and energies of AlOOH and FeOOH polymorphs from plane wave pseudopotential calculations, AM MINERAL, 86(3), 2001, pp. 312-317
Model structures and electron density distributions for the silica polymorph coesite at pressure: An assessment of OO bonded interactions
Authors: Gibbs, GV Boisen, MB Rosso, KM Teter, DM Bukowinski, MST
Citation: Gv. Gibbs et al., Model structures and electron density distributions for the silica polymorph coesite at pressure: An assessment of OO bonded interactions, J PHYS CH B, 104(45), 2000, pp. 10534-10542
Ab initio calculation of homogeneous outer sphere electron transfer rates:Application to M(OH2)(6)(3+/2+) redox couples
Authors: Rosso, KM Rustad, JR
Citation: Km. Rosso et Jr. Rustad, Ab initio calculation of homogeneous outer sphere electron transfer rates:Application to M(OH2)(6)(3+/2+) redox couples, J PHYS CH A, 104(29), 2000, pp. 6718-6725
Surface defects and self-diffusion on pyrite {100}: An ultra-high vacuum scanning tunneling microscopy and theoretical modeling study
Authors: Rosso, KM Becker, U Hochella, MF
Citation: Km. Rosso et al., Surface defects and self-diffusion on pyrite {100}: An ultra-high vacuum scanning tunneling microscopy and theoretical modeling study, AM MINERAL, 85(10), 2000, pp. 1428-1436
SiO bonded interactions in coesite: a comparison of crystalline, molecularand experimental electron density distributions
Authors: Rosso, KM Gibbs, GV Boisen, MB
Citation: Km. Rosso et al., SiO bonded interactions in coesite: a comparison of crystalline, molecularand experimental electron density distributions, PHYS CHEM M, 26(3), 1999, pp. 264-272
A UHV STM/STS and ab initio investigation of covellite {001} surfaces
Authors: Rosso, KM Hochella, MF
Citation: Km. Rosso et Mf. Hochella, A UHV STM/STS and ab initio investigation of covellite {001} surfaces, SURF SCI, 423(2-3), 1999, pp. 364-374
Model structures and properties of the electron density distribution for low quartz at pressure: a study of the SiO bond
Authors: Gibbs, GV Rosso, KM Teter, DM Boisen, MB Bukowinski, MST
Citation: Gv. Gibbs et al., Model structures and properties of the electron density distribution for low quartz at pressure: a study of the SiO bond, J MOL STRUC, 486, 1999, pp. 13-25
Atomically resolved electronic structure of pyrite {100} surfaces: An experimental and theoretical investigation with implications for reactivity
Authors: Rosso, KM Becker, U Hochella, MF
Citation: Km. Rosso et al., Atomically resolved electronic structure of pyrite {100} surfaces: An experimental and theoretical investigation with implications for reactivity, AM MINERAL, 84(10), 1999, pp. 1535-1548
The interaction of pyrite {100} surfaces with O-2 and H2O: Fundamental oxidation mechanisms
Authors: Rosso, KM Becker, U Hochella, MF
Citation: Km. Rosso et al., The interaction of pyrite {100} surfaces with O-2 and H2O: Fundamental oxidation mechanisms, AM MINERAL, 84(10), 1999, pp. 1549-1561
Trivalent ion hydrolysis reactions: A linear free-energy relationship based on density functional electronic structure calculations
Authors: Rustad, JR Dixon, DA Rosso, KM Felmy, AR
Citation: Jr. Rustad et al., Trivalent ion hydrolysis reactions: A linear free-energy relationship based on density functional electronic structure calculations, J AM CHEM S, 121(13), 1999, pp. 3234-3235
Risultati: 1-14 |