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Silvia Casassa

University of Turin

30H-index
113Paper Count
6.0KCitation Count
Published Papers 45
Publication Date
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The Electron-Density Distribution of UCl4 and Its Topology from X-ray Diffraction
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2024-11-11
err0
PREAI
errCossard, Alessandro; Gianopoulos, Christopher G.; Desmarais, Jacques K.; Casassa, Silvia; Gatti, Carlo; Erba, Alessandro; Pinkerton, A. Alan
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Path ahead: Tackling the Challenge of Computationally Estimating Lithium Diffusion in Cathode Materials
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2024-07-11
err1
PREAI
errBonometti, Laura; Daga, Loredana E.; Rocca, Riccardo; Marana, Naiara L.; Casassa, Silvia; D'Amore, Maddalena; Laasonen, Kari; Petit, Martin; Silveri, Fabrizio; Sgroi, Mauro F.; Ferrari, Anna M.; Maschio, Lorenzo
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Born-Oppenheimer Molecular Dynamics with a Linear Combination of Atomic Orbitals and Hybrid Functionals for Condensed Matter Simulations Made Possible. Theory and Performance for the Microcanonical and Canonical Ensembles
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-04-22
err0
PREAI
errRibaldone, Chiara; Casassa, Silvia
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Crucial Role of Ni Point Defects and Sb Doping for Tailoring the Thermoelectric Properties of ZrNiSn Half-Heusler Alloy: An Ab Initio Study
errMATERIALS
IF3.2
err2024-02-25
err1
errOAAI
errAscrizzi, Eleonora; Ribaldone, Chiara; Casassa, Silvia
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Stability and Formation of the Li3PS4/Li, Li3PS4/Li2S, and Li2S/Li Interfaces: A Theoretical Study
errLANGMUIR
IF3.9
err2023-12-11
err3
errOAAI
errMarana, Naiara Leticia; Casassa, Silvia; Sgroi, Mauro Francesco; Maschio, Lorenzo; Silveri, Fabrizio; D'Amore, Maddalena; Ferrari, Anna Maria
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Combined DFT-D3 Computational and Experimental Studies on g-C3N4: New Insight into Structure, Optical, and Vibrational Properties
errMATERIALS
IF3.2
err2023-05-10
err17
errOAAI
errNegro, Paolo; Cesano, Federico; Casassa, Silvia; Scarano, Domenica
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CRYSTAL23: A Program for Computational Solid State Physics and Chemistry
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-12-11
err137
errOAAI
errErba, Alessandro; Desmarais, Jacques K.; Casassa, Silvia; Civalleri, Bartolomeo; Dona, Lorenzo; Bush, Ian J.; Searle, Barry; Maschio, Lorenzo; Edith-Daga, Loredana; Cossard, Alessandro; Ribaldone, Chiara; Ascrizzi, Eleonora; Marana, Naiara L.; Flament, Jean-Pierre; Kirtman, Bernard
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Modeling of BN-Doped Carbon Nanotube as High-Performance Thermoelectric Materials
errNANOMATERIALS
IF4.3
err2022-12-06
err4
errOAAI
errMarana, Naiara L.; Sambrano, Julio R.; Casassa, Silvia
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Ion Conductivity in a Magnesium Borohydride Ammonia Borane Solid-State Electrolyte
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2022-08-30
err10
errOAAI
errPalumbo, Mauro; Kisu, Kazuaki; Gulino, Valerio; Nervi, Carlo; Maschio, Lorenzo; Casassa, Silvia; Orimo, Shin-ichi; Baricco, Marcello
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Computational Characterization of β-Li3PS4 Solid Electrolyte: From Bulk and Surfaces to Nanocrystals
errNANOMATERIALS
IF4.3
err2022-08-15
err5
errOAAI
errMarana, Naiara Leticia; Sgroi, Mauro Francesco; Maschio, Lorenzo; Ferrari, Anna Maria; D'Amore, Maddalena; Casassa, Silvia
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Piezoelectricity induced by gaseous molecules adsorbed on ZnO nanotubes
errMATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
IF4.6
err2022-07-01
err6
PREAI
errMarana, Naiara L.; Casassa, Silvia; Sambrano, Julio R.
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From symmetry breaking in the bulk to phase transitions at the surface: a quantum-mechanical exploration of Li6PS5Cl argyrodite superionic conductor
errPHYSICAL CHEMISTRY CHEMICAL PHYSICS
IF2.9
err2022-01-01
err7
errOAAI
errD'Amore, Maddalena; Daga, Loredana Edith; Rocca, Riccardo; Sgroi, Mauro Francesco; Marana, Naiara Leticia; Casassa, Silvia Maria; Maschio, Lorenzo; Ferrari, Anna Maria
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Topology of the Electron Density and of Its Laplacian from Periodic LCAO Calculations on f-Electron Materials: The Case of Cesium Uranyl Chloride
errMOLECULES
IF4.6
err2021-07-12
err12
errOAAI
errCossard, Alessandro; Casassa, Silvia; Gatti, Carlo; Desmarais, Jacques K.; Erba, Alessandro
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Effect of in content on thermoelectric performance of InxGa1-xN alloys: Hybrid density functional theory study based on realistic models
errJOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
IF4.9
err2021-07-01
err0
errOAAI
errAroussi, H. C.; Marana, N. L.; Hamdache, F.; Houaria, R.; Bahlouli, S.; Casassa, S.
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AlGaN double-walled nanotubes as ammonia gas sensor
errJOURNAL OF SOLID STATE CHEMISTRY
IF3.5
err2020-12-01
err4
errOAAI
errMarana, Naiara L.; Pinhal, Giovanne B.; Casassa, Silvia; Sambrano, Julio R.
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Key Role of Defects in Thermoelectric Performance of TiMSn (M = Ni, Pd, and Pt) Half-Heusler Alloys
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2020-06-22
err22
PREAI
errDasmahapatra, Atreyi; Daga, Loredana Edith; Karttunen, Antti J.; Maschio, Lorenzo; Casassa, Silvia
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Computational simulations of ZnO@GaN and GaN@ZnO core@shell nanotubes
errJOURNAL OF SOLID STATE CHEMISTRY
IF3.5
err2018-10-01
err11
PREAI
errMarana, N. L.; Casassa, S.; Longo, E.; Sambrano, J. R.
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IR spectral fingerprint of carbon monoxide in interstellar water-ice models
errMONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
IF4.8
err2018-07-19
err28
errOAAI
errZamirri, Lorenzo; Casassa, Silvia; Rimola, Albert; Segado-Centellas, Mireia; Ceccarelli, Cecilia; Ugliengo, Piero
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Quantum-mechanical condensed matter simulations with CRYSTAL
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2018-03-04
err1.5K
errOAAI
errDovesi, Roberto; Erba, Alessandro; Orlando, Roberto; Zicovich-Wilson, Claudio M.; Civalleri, Bartolomeo; Maschio, Lorenzo; Rerat, Michel; Casassa, Silvia; Baima, Jacopo; Salustro, Simone; Kirtman, Bernard
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CH3-Tagged Bis(pyrazolato)-Based Coordination Polymers and Metal Organic Frameworks: An Experimental and Theoretical Insight
errCRYSTAL GROWTH & DESIGN
IF3.4
err2017-06-06
err19
PREAI
errMosca, Nello; Vismara, Rebecca; Fernandes, Jose A.; Casassa, Silvia; Domasevitch, Konstantin V.; Bailon-Garcia, Esther; Maldonado-Hodar, Francisco J.; Pettinari, Claudio; Galli, Simona
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Research Directions

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Co-authors
Cooperation Journals
E
E. Longo
H-index: 105 · Papers: 2.0K
S
Shin‐ichi Orimo
H-index: 84 · Papers: 590
R
Roberto Dovesi
H-index: 74 · Papers: 406
C
Carlo Gatti
H-index: 66 · Papers: 354
N
N. M. Harrison
H-index: 63 · Papers: 346
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