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Results: 1-25/26
Authors:
Pasquarello, A
Hybertsen, MS
Car, R
Citation: A. Pasquarello et al., Atomic dynamics during silicon oxidation, SPR S MAT S, 46, 2001, pp. 107-125
Authors:
Haerle, R
Pasquarello, A
Baldereschi, A
Citation: R. Haerle et al., First-principle study of C 1s core-level shifts in amorphous carbon, COMP MAT SC, 22(1-2), 2001, pp. 67-72
Authors:
Bongiorno, A
Pasquarello, A
Citation: A. Bongiorno et A. Pasquarello, Oxygen species in SiO2: a first-principles investigation, MICROEL ENG, 59(1-4), 2001, pp. 167-172
Authors:
Massobrio, C
Pasquarello, A
Car, R
Citation: C. Massobrio et al., Short- and intermediate-range structure of liquid GeSe2 - art. no. 144205, PHYS REV B, 6414(14), 2001, pp. 4205
Authors:
Rignanese, GM
Detraux, F
Gonze, X
Pasquarello, A
Citation: Gm. Rignanese et al., First-principles study of dynamical and dielectric properties of tetragonal zirconia - art. no. 134301, PHYS REV B, 6413(13), 2001, pp. 4301
Authors:
Rignanese, GM
Gonze, X
Pasquarello, A
Citation: Gm. Rignanese et al., First-principles study of structural, electronic, dynamical, and dielectric properties of zircon - art. no. 104305, PHYS REV B, 6310(10), 2001, pp. 4305
Authors:
Umari, P
Pasquarello, A
Dal Corso, A
Citation: P. Umari et al., Raman scattering intensities in alpha-quartz: A first-principles investigation - art. no. 094305, PHYS REV B, 6309(9), 2001, pp. 4305
Authors:
Rignanese, GM
Pasquarello, A
Citation: Gm. Rignanese et A. Pasquarello, Nitrogen bonding configurations at nitrided Si(001) surfaces and Si(001)-SiO2 interfaces: A first-principles study of core-level shifts - art. no. 075307, PHYS REV B, 6307(7), 2001, pp. 5307
Authors:
Rignanese, GM
Pasquarello, A
Citation: Gm. Rignanese et A. Pasquarello, Nitrogen 1s core-level shifts at the NH3 saturated Si(100)-2 x 1 surface: a first-principles study, SURF SCI, 490(1-2), 2001, pp. L614-L618
Authors:
Pasquarello, A
Petri, I
Salmon, PS
Parisel, O
Car, R
Toth, E
Powell, DH
Fischer, HE
Heim, L
Merbach, AE
Citation: A. Pasquarello et al., First solvation shell of the Cu(II) aqua ion: Evidence for fivefold coordination, SCIENCE, 291(5505), 2001, pp. 856-859
Authors:
Bernardi, A
Arosio, D
Manzoni, L
Micheli, F
Pasquarello, A
Seneci, P
Citation: A. Bernardi et al., Stereoselective synthesis of conformationally constrained cyclohexanediols: A set of molecular scaffolds for the synthesis of glycomimetics, J ORG CHEM, 66(19), 2001, pp. 6209-6216
Authors:
Massobrio, C
Pasquarello, A
Citation: C. Massobrio et A. Pasquarello, Origin of the first sharp diffraction peak in the structure factor of disordered network-forming systems: Layers or voids?, J CHEM PHYS, 114(18), 2001, pp. 7976-7979
Authors:
Pasquarello, A
Citation: A. Pasquarello, Vibrational amplitudes in vitreous silica, PHYS REV B, 61(6), 2000, pp. 3951-3959
Authors:
Bozzoli, A
Kazmierski, W
Kennedy, G
Pasquarello, A
Pecunioso, A
Citation: A. Bozzoli et al., A solid-phase approach to analogues of the antibiotic mureidomycin, BIOORG MED, 10(24), 2000, pp. 2759-2763
Authors:
Massobrio, C
van Roon, FHM
Pasquarello, A
De Leeuw, SW
Citation: C. Massobrio et al., Breakdown of intermediate-range order in liquid GeSe2 at high temperatures, J PHYS-COND, 12(46), 2000, pp. L697-L704
Authors:
Massobrio, C
Pasquarello, A
Car, R
Citation: C. Massobrio et al., Concentration fluctuations on intermediate range distances in liquid GeSe2: the critical role of ionicity, COMP MAT SC, 17(2-4), 2000, pp. 115-121
Authors:
Pasquarello, A
Citation: A. Pasquarello, Formation energy of threefold coordinated oxygen in SiO2 systems, APPL SURF S, 166(1-4), 2000, pp. 451-454
Authors:
Mauri, F
Pasquarello, A
Pfrommer, BG
Yoon, YG
Louie, SG
Citation: F. Mauri et al., Si-O-Si bond-angle distribution in vitreous silica from first-principles Si-29 NMR analysis, PHYS REV B, 62(8), 2000, pp. R4786-R4789
Authors:
Bongiorno, A
Pasquarello, A
Citation: A. Bongiorno et A. Pasquarello, Validity of the bond-energy picture for the energetics at Si-SiO2 interfaces, PHYS REV B, 62(24), 2000, pp. R16326-R16329
Authors:
Stirling, A
Pasquarello, A
Charlier, JC
Car, R
Citation: A. Stirling et al., Dangling bond defects at Si-SiO2 interfaces: Atomic structure of the P-b1 center, PHYS REV L, 85(13), 2000, pp. 2773-2776
Authors:
Rignanese, GM
Pasquarello, A
Citation: Gm. Rignanese et A. Pasquarello, First-principles study of NH3 exposed Si(001)2x1: Relation between N 1s core-level shifts and atomic structure, APPL PHYS L, 76(5), 2000, pp. 553-555
Authors:
Raghavachari, K
Pasquarello, A
Eng, J
Hybertsen, MS
Citation: K. Raghavachari et al., Chemisorption pathways and Si 2p core-level shifts for the interaction of spherosiloxane clusters with Si(100): Implications for photoemission in Si/SiO2 systems, APPL PHYS L, 76(26), 2000, pp. 3873-3875
Authors:
Pasquarello, A
Citation: A. Pasquarello, Network transformation processes during oxidation of silicon, MICROEL ENG, 48(1-4), 1999, pp. 89-94
Authors:
Price, DL
Pasquarello, A
Citation: Dl. Price et A. Pasquarello, Number of independent partial structure factors for a disordered n-component system, PHYS REV B, 59(1), 1999, pp. 5-7
Authors:
Massobrio, C
Pasquarello, A
Car, R
Citation: C. Massobrio et al., Intermediate range order and bonding character in disordered network-forming systems, J AM CHEM S, 121(12), 1999, pp. 2943-2944