| Year |
Citation |
Score |
| 2020 |
Pruteanu CG, Naden Robinson V, Ansari N, Hassanali A, Scandolo S, Loveday JS. Squeezing Oil into Water under Pressure: Inverting the Hydrophobic Effect. The Journal of Physical Chemistry Letters. 4826-4833. PMID 32496780 DOI: 10.1021/Acs.Jpclett.0C01410 |
0.422 |
|
| 2020 |
Cogollo-Olivo BH, Biswas S, Scandolo S, Montoya JA. Ab initio Determination of the Phase Diagram of CO_{2} at High Pressures and Temperatures. Physical Review Letters. 124: 095701. PMID 32202852 DOI: 10.1103/Physrevlett.124.095701 |
0.361 |
|
| 2019 |
Scandolo S. Machine learning provides realistic model of complex phase transition. Proceedings of the National Academy of Sciences of the United States of America. PMID 31068465 DOI: 10.1073/Pnas.1905457116 |
0.37 |
|
| 2019 |
Biswas S, Errea I, Calandra M, Mauri F, Scandolo S. Ab initio study of the LiH phase diagram at extreme pressures and temperatures Physical Review B. 99: 24108. DOI: 10.1103/Physrevb.99.024108 |
0.399 |
|
| 2018 |
Cogollo-Olivo BH, Biswas S, Scandolo S, Montoya JA. Phase diagram of oxygen at extreme pressure and temperature conditions: An ab initio study Physical Review B. 98: 94103. DOI: 10.1103/Physrevb.98.094103 |
0.38 |
|
| 2017 |
Liu W, Wu X, Liang Y, Liu C, Miranda CR, Scandolo S. Multiple pathways in pressure-induced phase transition of coesite. Proceedings of the National Academy of Sciences of the United States of America. PMID 29162690 DOI: 10.1073/Pnas.1710651114 |
0.408 |
|
| 2017 |
Scandolo S, Liang Y, Miranda C. Microscopic mechanisms of the pressure-induced amorphization of SiO2 Acta Crystallographica Section A. 73. DOI: 10.1107/S2053273317094955 |
0.34 |
|
| 2017 |
Pinilla C, Acuña-Rojas M, Seriani N, Scandolo S. An atomistic model of MgSiO3 perovskite and post-perovskite phases Computational Materials Science. 126: 351-359. DOI: 10.1016/J.Commatsci.2016.09.032 |
0.421 |
|
| 2017 |
Seriani N, Pinilla C, Scandolo S. Titania–silica mixed oxides investigated with density functional theory and molecular dynamics simulations Physica Status Solidi B-Basic Solid State Physics. 254: 1600510. DOI: 10.1002/Pssb.201600510 |
0.388 |
|
| 2016 |
Lapini A, Pagliai M, Fanetti S, Citroni M, Scandolo S, Bini R, Righini R. Pressure Dependence of Hydrogen Bond Dynamics in Liquid Water Probed by Ultrafast Infrared Spectroscopy. The Journal of Physical Chemistry Letters. PMID 27560355 DOI: 10.1021/Acs.Jpclett.6B01375 |
0.376 |
|
| 2015 |
Liang Y, Miranda CR, Scandolo S. Atomistic pathways of the pressure-induced densification of quartz Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.134102 |
0.418 |
|
| 2015 |
Pantha N, Adhikari NP, Scandolo S. Decomposition of methane hydrates at high pressure: A density-fuctional theory study High Pressure Research. 35: 231-238. DOI: 10.1080/08957959.2015.1043912 |
0.361 |
|
| 2014 |
Fanetti S, Pagliai M, Citroni M, Lapini A, Scandolo S, Righini R, Bini R. Connecting the Water Phase Diagram to the Metastable Domain: High-Pressure Studies in the Supercooled Regime. The Journal of Physical Chemistry Letters. 5: 3804-9. PMID 26278751 DOI: 10.1021/Jz501971H |
0.393 |
|
| 2014 |
Fanetti S, Lapini A, Pagliai M, Citroni M, Di Donato M, Scandolo S, Righini R, Bini R. Structure and Dynamics of Low-Density and High-Density Liquid Water at High Pressure. The Journal of Physical Chemistry Letters. 5: 235-40. PMID 26276206 DOI: 10.1021/Jz402302Z |
0.377 |
|
| 2014 |
Crespo Y, Fabrizio M, Scandolo S, Tosatti E. Collective spin 1 singlet phase in high-pressure oxygen. Proceedings of the National Academy of Sciences of the United States of America. 111: 10427-32. PMID 25002513 DOI: 10.1073/Pnas.1404590111 |
0.382 |
|
| 2014 |
Bhattacharya SK, Inam F, Scandolo S. Excess electrons in ice: a density functional theory study. Physical Chemistry Chemical Physics : Pccp. 16: 3103-7. PMID 24401958 DOI: 10.1039/C3Cp54921F |
0.329 |
|
| 2014 |
Raji AT, Scandolo S. Theoretical X-ray absorption near-edge structure signatures of solid and liquid phases of iron at extreme conditions High Pressure Research. 34: 250-258. DOI: 10.1080/08957959.2014.888423 |
0.395 |
|
| 2014 |
Nyawere PWO, Scandolo S, Makau NW, Amolo GO. Ab-initio calculation of formation and migration energies of intrinsic defects in BaF2 Solid State Communications. 179: 25-28. DOI: 10.1016/J.Ssc.2013.11.017 |
0.308 |
|
| 2013 |
Raji AT, Scandolo S, Härting M, Britton DT. Probing the structure of iron at extreme conditions by X-ray absorption near-edge structure calculations High Pressure Research. 33: 119-123. DOI: 10.1080/08957959.2012.753070 |
0.34 |
|
| 2012 |
Pinilla C, Irani AH, Seriani N, Scandolo S. Ab initio parameterization of an all-atom polarizable and dissociable force field for water. The Journal of Chemical Physics. 136: 114511. PMID 22443781 DOI: 10.1063/1.3691603 |
0.349 |
|
| 2012 |
Santoro M, Gorelli FA, Bini R, Haines J, Cambon O, Levelut C, Montoya JA, Scandolo S. Partially collapsed cristobalite structure in the non molecular phase V in CO2. Proceedings of the National Academy of Sciences of the United States of America. 109: 5176-9. PMID 22431594 DOI: 10.1073/Pnas.1118791109 |
0.363 |
|
| 2012 |
Marini C, Chermisi D, Lavagnini M, Di Castro D, Petrillo C, Degiorgi L, Scandolo S, Postorino P. High-pressure phases of crystalline tellurium: A combined Raman and ab initio study Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.064103 |
0.458 |
|
| 2012 |
Seriani N, Pinilla C, Cereda S, De Vita A, Scandolo S. Titania-silica interfaces Journal of Physical Chemistry C. 116: 11062-11067. DOI: 10.1021/Jp301584H |
0.336 |
|
| 2012 |
Longo GS, Bhattacharya SK, Scandolo S. A molecular dynamics study of the role of adatoms in SAMs of methylthiolate on Au(111): A new force field parameterized from ab initio calculations Journal of Physical Chemistry C. 116: 14883-14891. DOI: 10.1021/Jp301378X |
0.36 |
|
| 2011 |
Liang Y, Ogundare FO, Miranda CR, Christie JK, Scandolo S. Structural properties and phase transitions in a silica clathrate. The Journal of Chemical Physics. 134: 074506. PMID 21341858 DOI: 10.1063/1.3532543 |
0.43 |
|
| 2011 |
Lee MS, Scandolo S. Mixtures of planetary ices at extreme conditions. Nature Communications. 2: 185. PMID 21304514 DOI: 10.1038/Ncomms1184 |
0.327 |
|
| 2011 |
Profeta G, Scandolo S. Far-infrared spectrum of ice Ih: A first-principles study Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.024103 |
0.325 |
|
| 2011 |
Raji AT, Mazzarello R, Scandolo S, Nsengiyumva S, Härting M, Britton DT. Intrinsic defects and krypton impurity atoms in hcp titanium: A first-principles study Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.054120 |
0.306 |
|
| 2011 |
Giacomazzi L, Carrez P, Scandolo S, Cordier P. Dislocation properties of coesite from an ab-initio parametrized interatomic potential Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.014110 |
0.358 |
|
| 2011 |
Raji AT, Mazzarello R, Scandolo S, Nsengiyumva S, Hrting M, Britton DT. Defects in ion-implanted hcp-titanium: A first-principles study of electronic structures Solid State Communications. 151: 1889-1893. DOI: 10.1016/J.Ssc.2011.09.029 |
0.332 |
|
| 2010 |
Fontana L, Santoro M, Bini R, Vinh DQ, Scandolo S. High-pressure vibrational properties of polyethylene. The Journal of Chemical Physics. 133: 204502. PMID 21133441 DOI: 10.1063/1.3507251 |
0.415 |
|
| 2010 |
Bhattacharya SK, Finn JM, Diep VP, Baletto F, Scandolo S. CCl(4) dissociation on the ice I(h) surface: an excess electron mediated process. Physical Chemistry Chemical Physics : Pccp. 12: 13034-6. PMID 20820567 DOI: 10.1039/C0Cp00439A |
0.332 |
|
| 2010 |
Han XJ, Bergqvist L, Dederichs PH, Müller-Krumbhaar H, Christie JK, Scandolo S, Tangney P. Polarizable interatomic force field for TiO2 parametrized using density functional theory Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.134108 |
0.332 |
|
| 2010 |
Giacomazzi L, Scandolo S. Gypsum under pressure: A first-principles study Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.064103 |
0.404 |
|
| 2009 |
Tangney P, Scandolo S. Melting slope of MgO from molecular dynamics and density functional theory. The Journal of Chemical Physics. 131: 124510. PMID 19791897 DOI: 10.1063/1.3238548 |
0.373 |
|
| 2009 |
Adebayo GA, Liang Y, Miranda CR, Scandolo S. Infrared absorption of MgO at high pressures and temperatures: a molecular dynamic study. The Journal of Chemical Physics. 131: 014506. PMID 19586109 DOI: 10.1063/1.3146902 |
0.67 |
|
| 2009 |
Sun J, Klug DD, Martonák R, Montoya JA, Lee MS, Scandolo S, Tosatti E. High-pressure polymeric phases of carbon dioxide. Proceedings of the National Academy of Sciences of the United States of America. 106: 6077-81. PMID 19332796 DOI: 10.1073/Pnas.0812624106 |
0.407 |
|
| 2009 |
Lee MS, Montoya JA, Scandolo S. Thermodynamic stability of layered structures in compressed CO2 Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.144102 |
0.338 |
|
| 2009 |
Tunde Raji A, Scandolo S, Mazzarello R, Nsengiyumva S, Härting M, Thomas Britton D. Ab initio pseudopotential study of vacancies and self-interstitials in hcp titanium Philosophical Magazine. 89: 1629-1645. DOI: 10.1080/14786430903019032 |
0.324 |
|
| 2009 |
Bovensiepen U, Gahl C, Stähler J, Bockstedte M, Meyer M, Baletto F, Scandolo S, Zhu XY, Rubio A, Wolf M. A dynamic landscape from femtoseconds to minutes for excess electrons at ice - metal interfaces Journal of Physical Chemistry C. 113: 979-988. DOI: 10.1021/Jp806997D |
0.346 |
|
| 2009 |
Anh Pham T, Gebauer R, Scandolo S. Magnetism and vibrations in the phase ε{lunate} of oxygen Solid State Communications. 149: 160-162. DOI: 10.1016/J.Ssc.2008.10.035 |
0.345 |
|
| 2008 |
Cossaro A, Mazzarello R, Rousseau R, Casalis L, Verdini A, Kohlmeyer A, Floreano L, Scandolo S, Morgante A, Klein ML, Scoles G. X-ray diffraction and computation yield the structure of alkanethiols on gold(111). Science (New York, N.Y.). 321: 943-6. PMID 18703737 DOI: 10.1126/Science.1158532 |
0.329 |
|
| 2008 |
Lee MS, Baletto F, Kanhere DG, Scandolo S. Far-infrared absorption of water clusters by first-principles molecular dynamics Journal of Chemical Physics. 128. PMID 18537432 DOI: 10.1063/1.2933248 |
0.324 |
|
| 2008 |
Montoya JA, Rousseau R, Santoro M, Gorelli F, Scandolo S. Mixed threefold and fourfold carbon coordination in compressed CO2. Physical Review Letters. 100: 163002. PMID 18518195 DOI: 10.1103/Physrevlett.100.163002 |
0.382 |
|
| 2008 |
Hernández AD, Montoya JA, Profeta G, Scandolo S. First-principles investigation of the electron-phonon interaction in Os N2: Theoretical prediction of superconductivity mediated by N-N covalent bonds Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.092504 |
0.309 |
|
| 2008 |
Liang Y, Miranda CR, Scandolo S. Temperature-induced densification of compressed SiO2 glass: A molecular dynamics study High Pressure Research. 28: 35-44. DOI: 10.1080/08957950701867774 |
0.416 |
|
| 2007 |
Liang Y, Miranda CR, Scandolo S. Tuning oxygen packing in silica by nonhydrostatic pressure. Physical Review Letters. 99: 215504. PMID 18233227 DOI: 10.1103/Physrevlett.99.215504 |
0.376 |
|
| 2007 |
Degtyareva O, Magnitskaya MV, Kohanoff J, Profeta G, Scandolo S, Hanfland M, McMahon MI, Gregoryanz E. Competition of charge-density waves and superconductivity in sulfur Physical Review Letters. 99. DOI: 10.1103/Physrevlett.99.155505 |
0.341 |
|
| 2007 |
Fontana L, Vinh DQ, Santoro M, Scandolo S, Gorelli FA, Bini R, Hanfland M. High-pressure crystalline polyethylene studied by x-ray diffraction and ab initio simulations Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.174112 |
0.403 |
|
| 2007 |
Liang Y, Miranda CR, Scandolo S. Mechanical strength and coordination defects in compressed silica glass: Molecular dynamics simulations Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.024205 |
0.36 |
|
| 2007 |
Montoya JA, Hernandez AD, Sanloup C, Gregoryanz E, Scandolo S. OsN2: Crystal structure and electronic properties Applied Physics Letters. 90. DOI: 10.1063/1.2430631 |
0.339 |
|
| 2007 |
Wan JTK, Duffy TS, Scandolo S, Car R. First-principles study of density, viscosity, and diffusion coefficients of liquid MgSiO3 at conditions of the Earth's deep mantle Journal of Geophysical Research: Solid Earth. 112. DOI: 10.1029/2005Jb004135 |
0.342 |
|
| 2007 |
Ndongmouo UFT, Lee MS, Rousseau R, Baletto F, Scandolo S. Finite-temperature effects on the stability and infrared spectra of HCl(H2O)6 clusters Journal of Physical Chemistry A. 111: 12810-12815. DOI: 10.1021/Jp0765603 |
0.311 |
|
| 2006 |
Liang Y, Miranda CR, Scandolo S. Infrared and Raman spectra of silica polymorphs from an ab initio parametrized polarizable force field. The Journal of Chemical Physics. 125: 194524. PMID 17129140 DOI: 10.1063/1.2390709 |
0.388 |
|
| 2006 |
Santoro M, Gorelli FA, Bini R, Ruocco G, Scandolo S, Crichton WA. Amorphous silica-like carbon dioxide. Nature. 441: 857-60. PMID 16778885 DOI: 10.1038/Nature04879 |
0.369 |
|
| 2006 |
Young AF, Sanloup C, Gregoryanz E, Scandolo S, Hemley RJ, Mao HK. Synthesis of novel transition metal nitrides IrN2 and OsN2. Physical Review Letters. 96: 155501. PMID 16712167 DOI: 10.1103/Physrevlett.96.155501 |
0.316 |
|
| 2006 |
Young AF, Montoya JA, Sanloup C, Lazzeri M, Gregoryanz E, Scandolo S. Interstitial dinitrogen makes PtN2 an insulating hard solid Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.153102 |
0.343 |
|
| 2006 |
Rousseau R, De Renzi V, Mazzarello R, Marchetto D, Biagi R, Scandolo S, Del Pennino U. Interfacial electrostatics of self-assembled monolayers of alkane thiolates on Au(111): Work function modification and molecular level alignments Journal of Physical Chemistry B. 110: 10862-10872. DOI: 10.1021/Jp061720G |
0.347 |
|
| 2006 |
Miranda CR, Tretiakov KV, Scandolo S. A computational study of elastic properties of disordered systems with voids Journal of Non-Crystalline Solids. 352: 4283-4286. DOI: 10.1016/J.Jnoncrysol.2006.07.036 |
0.34 |
|
| 2005 |
Wang X, Scandolo S, Car R. Carbon phase diagram from ab initio molecular dynamics. Physical Review Letters. 95: 185701. PMID 16383918 DOI: 10.1103/Physrevlett.95.185701 |
0.407 |
|
| 2005 |
Baletto F, Cavazzoni C, Scandolo S. Surface trapped excess electrons on ice. Physical Review Letters. 95: 176801. PMID 16383853 DOI: 10.1103/Physrevlett.95.176801 |
0.33 |
|
| 2005 |
Rousseau R, Mazzarello R, Scandolo S. An effective pseudopotential for modeling gold surface slabs for ab initio simulations. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 6: 1756-60. PMID 16144002 DOI: 10.1002/Cphc.200400615 |
0.364 |
|
| 2005 |
Tassone F, Chiarotti GL, Rousseau R, Scandolo S, Tosatti E. Dimerization of CO2 at high pressure and temperature. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 6: 1752-6. PMID 16144001 DOI: 10.1002/Cphc.200400618 |
0.43 |
|
| 2005 |
Hetényi B, Scandolo S, Tosatti E. Theoretical evidence for a reentrant phase diagram in ortho-para mixtures of solid H2 at high pressure. Physical Review Letters. 94: 125503. PMID 15903930 DOI: 10.1103/Physrevlett.94.125503 |
0.35 |
|
| 2005 |
Scandolo S, Giannozzi P, Cavazzoni C, De Gironcoli S, Pasquarello A, Baroni S. First-principles codes for computational crystallography in the Quantum-ESPRESSO package Zeitschrift Fur Kristallographie. 220: 574-579. DOI: 10.1524/Zkri.220.5.574.65062 |
0.339 |
|
| 2005 |
Oganov AR, Price GD, Scandolo S. Ab initio theory of planetary materials Zeitschrift Fur Kristallographie. 220: 531-548. DOI: 10.1524/Zkri.220.5.531.65079 |
0.364 |
|
| 2005 |
Ceresoli D, Righi MC, Tosatti E, Scandolo S, Santoro G, Serra S. Exciton self-trapping in bulk polyethylene Journal of Physics Condensed Matter. 17: 4621-4627. DOI: 10.1088/0953-8984/17/29/004 |
0.315 |
|
| 2005 |
Miranda CR, Scandolo S. Computational materials science meets geophysics: Dislocations and slip planes of MgO Computer Physics Communications. 169: 24-27. DOI: 10.1016/J.Cpc.2005.03.007 |
0.332 |
|
| 2005 |
Hetényi B, Scandolo S, Tosatti E. Orientational ordering of ortho-para mixtures of crystals of homonuclear diatomic molecules: Theoretical evidence for reentrance Journal of Low Temperature Physics. 139: 753-763. DOI: 10.1007/S10909-005-5486-7 |
0.355 |
|
| 2004 |
Tretiakov KV, Scandolo S. Thermal conductivity of solid argon at high pressure and high temperature: a molecular dynamics study. The Journal of Chemical Physics. 121: 11177-82. PMID 15634072 DOI: 10.1063/1.1812754 |
0.4 |
|
| 2004 |
Tretiakov KV, Scandolo S. Thermal conductivity of solid argon from molecular dynamics simulations. The Journal of Chemical Physics. 120: 3765-9. PMID 15268540 DOI: 10.1063/1.1642611 |
0.339 |
|
| 2004 |
Yoon YG, Car R, Srolovitz DJ, Scandolo S. Thermal conductivity of crystalline quartz from classical simulations Physical Review B - Condensed Matter and Materials Physics. 70: 012302-1-012302-4. DOI: 10.1103/Physrevb.70.012302 |
0.322 |
|
| 2004 |
Ceresoli D, Tosatti E, Scandolo S, Santoro G, Serra S. Trapping of excitons at chemical defects in polyethylene Journal of Chemical Physics. 121: 6478-6484. DOI: 10.1063/1.1783876 |
0.313 |
|
| 2004 |
Tóbik J, Dal Corso A, Scandolo S, Tosatti E. Organic molecular crystals in electric fields Surface Science. 566: 644-649. DOI: 10.1016/J.Susc.2004.06.116 |
0.314 |
|
| 2003 |
Scandolo S. Liquid-liquid phase transition in compressed hydrogen from first-principles simulations. Proceedings of the National Academy of Sciences of the United States of America. 100: 3051-3. PMID 12626753 DOI: 10.1073/Pnas.0038012100 |
0.385 |
|
| 2003 |
Piccinin S, Selloni A, Scandolo S, Car R, Scoles G. Electronic properties of metal-molecule-metal systems at zero bias: A periodic density functional study Journal of Chemical Physics. 119: 6729-6735. DOI: 10.1063/1.1602057 |
0.324 |
|
| 2002 |
Trave A, Tangney P, Scandolo S, Pasquarello A, Car R. Pressure-induced structural changes in liquid SiO2 from Ab initio simulations. Physical Review Letters. 89: 245504. PMID 12484956 DOI: 10.1103/Physrevlett.89.245504 |
0.391 |
|
| 2002 |
Scandolo S, Tosatti E. Molecular simulations break the ice Physics World. 15: 25-26. DOI: 10.1088/2058-7058/15/8/30 |
0.336 |
|
| 2002 |
Tangney P, Scandolo S. An ab initio parametrized interatomic force field for silica Journal of Chemical Physics. 117: 8898-8904. DOI: 10.1063/1.1513312 |
0.332 |
|
| 2002 |
Tangney P, Scandolo S. How well do Car-Parrinello simulations reproduce the Born-Oppenheimer surface? Theory and examples Journal of Chemical Physics. 116: 14-24. DOI: 10.1063/1.1423331 |
0.315 |
|
| 2002 |
Serra S, Iarlori S, Tosatti E, Scandolo S, Righi MC, Santoro GE. Self-trapping vs. non-trapping of electrons and holes in organic insulators: Polyethylene Chemical Physics Letters. 360: 487-493. DOI: 10.1016/S0009-2614(02)00832-1 |
0.309 |
|
| 2001 |
Santoro G, Scandolo S, Tosatti E. Surface charge density waves and the Mott insulators for √3 × √3 adlayers on (1 1 1) semiconductor surfaces Computational Materials Science. 20: 343-350. DOI: 10.1016/S0927-0256(00)00192-0 |
0.335 |
|
| 2000 |
Laio A, Bernard S, Chiarotti GL, Scandolo S, Tosatti E. Physics of iron at Earth's core conditions Science. 287: 1027-1030. PMID 10669412 DOI: 10.1126/Science.287.5455.1027 |
0.314 |
|
| 2000 |
Serra S, Tosatti E, Iarlori S, Scandolo S, Santoro G. Interchain electron states in polyethylene Physical Review B - Condensed Matter and Materials Physics. 62: 4389-4393. DOI: 10.1103/Physrevb.62.4389 |
0.325 |
|
| 2000 |
Scandolo S, Kohanoff J. Optimal basis set for electronic structure calculations in periodic systems Physical Review B - Condensed Matter and Materials Physics. 62: 15499-15504. DOI: 10.1103/Physrevb.62.15499 |
0.307 |
|
| 2000 |
Ballabio G, Scandolo S, Tosatti E. √3×√3R30° versus adatom-rest-atom phases on (111) semiconductor surfaces Physical Review B - Condensed Matter and Materials Physics. 61. DOI: 10.1103/Physrevb.61.R13345 |
0.349 |
|
| 2000 |
Gebauer R, Serra S, Chiarotti GL, Scandolo S, Baroni S, Tosatti E. Noncolinear spin polarization from frustrated antiferromagnetism: A possible scenario for molecular oxygen at high pressure Physical Review B - Condensed Matter and Materials Physics. 61: 6145-6149. DOI: 10.1103/Physrevb.61.6145 |
0.386 |
|
| 2000 |
Anisimov VI, Bedin AE, Korotin MA, Santoro G, Scandolo S, Tosatti E. SiC(0001): A surface Mott-Hubbard insulator Physical Review B - Condensed Matter and Materials Physics. 61: 1752-1755. DOI: 10.1103/Physrevb.61.1752 |
0.37 |
|
| 2000 |
Santoro G, Scandolo S, Tosatti E. Spectroscopic fingerprints of a surface Mott-Hubbard insulator: The case of SiC(0001) Surface Science. 454: 534-538. DOI: 10.1016/S0039-6028(00)00236-3 |
0.313 |
|
| 2000 |
De Gironcoli S, Scandolo S, Ballabio G, Santoro G, Tosatti E. Mechanism for the 3×3 distortion of Sn/Ge(111) Surface Science. 454: 172-177. DOI: 10.1016/S0039-6028(00)00066-2 |
0.322 |
|
| 2000 |
Serra S, Iarlori S, Tosatti E, Scandolo S, Santoro G. Dynamical and thermal properties of polyethylene by ab initio simulation Chemical Physics Letters. 331: 339-345. DOI: 10.1016/S0009-2614(00)00881-2 |
0.373 |
|
| 1999 |
Cavazzoni C, Chiarotti GL, Scandolo S, Tosatti E, Bernasconi M, Parrinello M. Superionic and metallic states of water and ammonia at giant planet conditions Science. 283: 44-46. PMID 9872734 DOI: 10.1126/Science.283.5398.44 |
0.386 |
|
| 1999 |
Serra S, Cavazzoni C, Chiarotti GL, Scandolo S, Tosatti E. Pressure-induced solid carbonates from molecular CO2 by computer simulation Science. 284: 788-790. DOI: 10.1126/Science.284.5415.788 |
0.375 |
|
| 1999 |
Kohanoff J, Scandolo S, De Gironcoli S, Tosatti E. Dipole-Quadrupole Interactions and the Nature of Phase III of Compressed Hydrogen Physical Review Letters. 83: 4097-4100. DOI: 10.1103/Physrevlett.83.4097 |
0.416 |
|
| 1999 |
Santoro G, Scandolo S, Tosatti E. Charge-density waves and surface Mott insulators for adlayer structures on semiconductors: Extended Hubbard modeling Physical Review B - Condensed Matter and Materials Physics. 59: 1891-1901. DOI: 10.1103/Physrevb.59.1891 |
0.385 |
|
| 1998 |
Chiarotti GL, Ancilotto F, Bernasconi M, Bernard S, Cavazzoni C, Focher P, Kohanoff J, Parrinello M, Scandolo S, Serra S, Tosatti E. Simple Molecular Systems at Very High Pressures: Computer simulation studies The Review of High Pressure Science and Technology. 7: 172-177. DOI: 10.4131/Jshpreview.7.172 |
0.408 |
|
| 1998 |
Bernard S, Chiarotti GL, Scandolo S, Tosatti E. Decomposition and polymerization of solid carbon monoxide under pressure Physical Review Letters. 81: 2092-2095. DOI: 10.1103/Physrevlett.81.2092 |
0.392 |
|
| 1998 |
Serra S, Chiarotti G, Scandolo S, Tosatti E. Pressure-Induced Magnetic Collapse And Metallization Of Molecular Oxygen: The Zeta -O2 Phase Physical Review Letters. 80: 5160-5163. DOI: 10.1103/Physrevlett.80.5160 |
0.396 |
|
| 1998 |
Scandolo S, Ancilotto F, Chiarotti GL, Santoro G, Serra S, Tosatti E. First principles calculations of charge and spin density waves of √3-adsorbates on semiconductors Surface Science. 402: 808-812. DOI: 10.1016/S0039-6028(97)01098-4 |
0.326 |
|
| 1998 |
Santoro G, Sorella S, Becca F, Scandolo S, Tossatti E. Metallic charge density waves and surface Mott insulators for adlayer structures on semiconductors: Extended Hubbard modeling Surface Science. 402: 802-807. DOI: 10.1016/S0039-6028(97)01088-1 |
0.374 |
|
| 1997 |
Ancilotto F, Chiarotti GL, Scandolo S, Tosatti E. Dissociation of methane into hydrocarbons at extreme (planetary) pressure and temperature Science. 275: 1288-1290. PMID 9036849 DOI: 10.1126/Science.275.5304.1288 |
0.39 |
|
| 1997 |
Kohanoff J, Scandolo S. Solid molecular phases of Hydrogen via constant-pressure first-principles Molecular Dynamics Mrs Proceedings. 499: 329. DOI: 10.1557/Proc-499-329 |
0.391 |
|
| 1997 |
Kohanoff J, Scandolo S, Chiarotti GL, Tosatti E. Solid molecular hydrogen: The broken symmetry phase Physical Review Letters. 78: 2783-2786. DOI: 10.1103/Physrevlett.78.2783 |
0.38 |
|
| 1996 |
Lu Z, Chiarotti GL, Scandolo S, Tosatti E. Atomic And Electronic Structure Of Ideal And Reconstructed Alpha -Sn (111)Surface Physical Review B. 54: 11769-11776. PMID 9984968 DOI: 10.1103/Physrevb.54.11769 |
0.321 |
|
| 1996 |
Scandolo S, Chiarotti GL, Tosatti E. SC4: A metallic phase of carbon at terapascal pressures Physical Review B - Condensed Matter and Materials Physics. 53: 5051-5054. DOI: 10.1103/Physrevb.53.5051 |
0.386 |
|
| 1996 |
Scandolo S, Chiarotti GL, Tosatti E. Stability of diamond at megabar pressures Physica Status Solidi (B) Basic Research. 198: 447-453. DOI: 10.1002/Pssb.2221980158 |
0.381 |
|
| 1995 |
Scandolo S, Bernasconi M, Chiarotti GL, Focher P, Tosatti E. Pressure-induced transformation path of graphite to diamond Physical Review Letters. 74: 4015-4018. DOI: 10.1103/Physrevlett.74.4015 |
0.406 |
|
| 1995 |
Bernasconi M, Chiarotti GL, Focher P, Scandolo S, Tosatti E, Parrinello M. First-Principle-Constant Pressure Molecular Dynamics Journal of Physics and Chemistry of Solids. 56: 501-505. DOI: 10.1016/0022-3697(94)00228-2 |
0.385 |
|
| 1994 |
Sirtori C, Capasso F, Faist J, Scandolo S. Nonparabolicity and a sum rule associated with bound-to-bound and bound-to-continuum intersubband transitions in quantum wells Physical Review B. 50: 8663-8674. DOI: 10.1103/Physrevb.50.8663 |
0.302 |
|
| Show low-probability matches. |