Silvia Casassa - Publications, H-index & Citations

Silvia Casassa

University of Turin

30H指数

113论文数

6.0K被引数

收录论文 45

发表时间

The Electron-Density Distribution of UCl4 and Its Topology from X-ray Diffraction

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2024-11-11

PREAI

Cossard, Alessandro; Gianopoulos, Christopher G.; Desmarais, Jacques K.; Casassa, Silvia; Gatti, Carlo; Erba, Alessandro; Pinkerton, A. Alan

Path ahead: Tackling the Challenge of Computationally Estimating Lithium Diffusion in Cathode Materials 前进的道路: 应对计算估算阴极材料中锂扩散的挑战

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2024-07-11

PREAI

Bonometti, 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

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

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-04-22

PREAI

Ribaldone, Chiara; Casassa, Silvia

Crucial Role of Ni Point Defects and Sb Doping for Tailoring the Thermoelectric Properties of ZrNiSn Half-Heusler Alloy: An Ab Initio Study

MATERIALS

IF3.2

2024-02-25

OAAI

Ascrizzi, Eleonora; Ribaldone, Chiara; Casassa, Silvia

Stability and Formation of the Li3PS4/Li, Li3PS4/Li2S, and Li2S/Li Interfaces: A Theoretical Study Li3PS4/Li，Li3PS4/Li2S和Li2S/Li界面的稳定性和形成: 理论研究

LANGMUIR

IF3.9

2023-12-11

OAAI

Marana, Naiara Leticia; Casassa, Silvia; Sgroi, Mauro Francesco; Maschio, Lorenzo; Silveri, Fabrizio; D'Amore, Maddalena; Ferrari, Anna Maria

Combined DFT-D3 Computational and Experimental Studies on g-C3N4: New Insight into Structure, Optical, and Vibrational Properties DFT-D3 g-C3N4的计算和实验研究相结合: 对结构，光学和振动特性的新见解

MATERIALS

IF3.2

2023-05-10

OAAI

Negro, Paolo; Cesano, Federico; Casassa, Silvia; Scarano, Domenica

CRYSTAL23: A Program for Computational Solid State Physics and Chemistry CRYSTAL23: 计算固态物理和化学程序

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2022-12-11

137

OAAI

Erba, 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

Modeling of BN-Doped Carbon Nanotube as High-Performance Thermoelectric Materials BN掺杂碳纳米管高性能热电材料的建模

NANOMATERIALS

IF4.3

2022-12-06

OAAI

Marana, Naiara L.; Sambrano, Julio R.; Casassa, Silvia

Ion Conductivity in a Magnesium Borohydride Ammonia Borane Solid-State Electrolyte

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2022-08-30

OAAI

Palumbo, Mauro; Kisu, Kazuaki; Gulino, Valerio; Nervi, Carlo; Maschio, Lorenzo; Casassa, Silvia; Orimo, Shin-ichi; Baricco, Marcello

Computational Characterization of β-Li3PS4 Solid Electrolyte: From Bulk and Surfaces to Nanocrystals Β-li3ps4固体电解质的计算表征: 从本体和表面到纳米晶体

NANOMATERIALS

IF4.3

2022-08-15

OAAI

Marana, Naiara Leticia; Sgroi, Mauro Francesco; Maschio, Lorenzo; Ferrari, Anna Maria; D'Amore, Maddalena; Casassa, Silvia

Piezoelectricity induced by gaseous molecules adsorbed on ZnO nanotubes

MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS

IF4.6

2022-07-01

PREAI

Marana, Naiara L.; Casassa, Silvia; Sambrano, Julio R.

From symmetry breaking in the bulk to phase transitions at the surface: a quantum-mechanical exploration of Li6PS5Cl argyrodite superionic conductor 从块体的对称性破坏到表面的相变: Li6PS5Cl银超离子导体的量子力学探索

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

IF2.9

2022-01-01

OAAI

D'Amore, Maddalena; Daga, Loredana Edith; Rocca, Riccardo; Sgroi, Mauro Francesco; Marana, Naiara Leticia; Casassa, Silvia Maria; Maschio, Lorenzo; Ferrari, Anna Maria

Topology of the Electron Density and of Its Laplacian from Periodic LCAO Calculations on f-Electron Materials: The Case of Cesium Uranyl Chloride

MOLECULES

IF4.6

2021-07-12

OAAI

Cossard, Alessandro; Casassa, Silvia; Gatti, Carlo; Desmarais, Jacques K.; Erba, Alessandro

Effect of in content on thermoelectric performance of InxGa1-xN alloys: Hybrid density functional theory study based on realistic models

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

IF4.9

2021-07-01

OAAI

Aroussi, H. C.; Marana, N. L.; Hamdache, F.; Houaria, R.; Bahlouli, S.; Casassa, S.

AlGaN double-walled nanotubes as ammonia gas sensor

JOURNAL OF SOLID STATE CHEMISTRY

IF3.5

2020-12-01

OAAI

Marana, Naiara L.; Pinhal, Giovanne B.; Casassa, Silvia; Sambrano, Julio R.

Key Role of Defects in Thermoelectric Performance of TiMSn (M = Ni, Pd, and Pt) Half-Heusler Alloys

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2020-06-22

PREAI

Dasmahapatra, Atreyi; Daga, Loredana Edith; Karttunen, Antti J.; Maschio, Lorenzo; Casassa, Silvia

Computational simulations of ZnO@GaN and GaN@ZnO core@shell nanotubes ZnO @ GaN和GaN @ ZnO核 @ 壳纳米管的计算模拟

JOURNAL OF SOLID STATE CHEMISTRY

IF3.5

2018-10-01

PREAI

Marana, N. L.; Casassa, S.; Longo, E.; Sambrano, J. R.

IR spectral fingerprint of carbon monoxide in interstellar water-ice models

MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY

IF4.8

2018-07-19

OAAI

Zamirri, Lorenzo; Casassa, Silvia; Rimola, Albert; Segado-Centellas, Mireia; Ceccarelli, Cecilia; Ugliengo, Piero

Quantum-mechanical condensed matter simulations with CRYSTAL

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE

IF27

2018-03-04

1.5K

OAAI

Dovesi, Roberto; Erba, Alessandro; Orlando, Roberto; Zicovich-Wilson, Claudio M.; Civalleri, Bartolomeo; Maschio, Lorenzo; Rerat, Michel; Casassa, Silvia; Baima, Jacopo; Salustro, Simone; Kirtman, Bernard

CH3-Tagged Bis(pyrazolato)-Based Coordination Polymers and Metal Organic Frameworks: An Experimental and Theoretical Insight

CRYSTAL GROWTH & DESIGN

IF3.4

2017-06-06

PREAI

Mosca, Nello; Vismara, Rebecca; Fernandes, Jose A.; Casassa, Silvia; Domasevitch, Konstantin V.; Bailon-Garcia, Esther; Maldonado-Hodar, Francisco J.; Pettinari, Claudio; Galli, Simona

研究方向