marcella iannuzzi
Universität Zürich
H-index: 47
Europe-Switzerland
Top articles of marcella iannuzzi
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
h-BN/Metal-Oxide Interface Grown by Intercalation: A Model System for Nano-Confined Catalysis | The Journal of Physical Chemistry C | J Trey Diulus Zbynek Novotny Nanchen Dongfang Jan Beckord Yasmine Al-Hamdani | 2024/3/13 |
X-ray induced ultrafast charge transfer in thiophene-based conjugated polymers controlled by core-hole clock spectroscopy | Physical Chemistry Chemical Physics | Nicolas Velasquez Fernanda B Nunes Oksana Travnikova Iyas Ismail Renaud Guillemin | 2024 |
Understanding X-ray absorption in liquid water using triple excitations in multilevel coupled cluster theory | Nature Communications | Sarai Dery Folkestad Alexander C Paul Regina Paul Sonia Coriani Michael Odelius | 2024/4/26 |
A variational formulation of the Harris functional as a correction to approximate Kohn–Sham density functional theory | The Journal of Chemical Physics | Fabian Belleflamme Anna-Sophia Hehn Marcella Iannuzzi Jürg Hutter | 2023/2/7 |
Low-frequency anharmonic couplings in crystalline bromoform: Theory | The Journal of Chemical Physics | Beliz Sertcan Seyyed Jabbar Mousavi Marcella Iannuzzi Peter Hamm | 2023/1/7 |
Electrocatalytic Ammonia Oxidation with a Tailored Molecular Catalyst Heterogenized via Surface Host–Guest Complexation | Journal of the American Chemical Society | Helena Roithmeyer Laurent Sévery Thomas Moehl Bernhard Spingler Olivier Blacque | 2023/12/22 |
Ab Initio Molecular Dynamics: A Guide to Applications | Jürg Hutter Marcella Iannuzzi Thomas D Kühne | 2023/1/1 | |
Enhanced understanding of X-ray absorption in liquid water using novel coupled cluster methodologies | arXiv preprint arXiv:2308.09495 | Sarai Dery Folkestad Alexander C Paul Regina Paul Sonia Coriani Michael Odelius | 2023/8/18 |
Understanding the role of oxygen-vacancy defects in Cu2O (111) from first-principle calculations | Electronic Structure | Nanchen Dongfang Yasmine S Al-Hamdani Marcella Iannuzzi | 2023/7/4 |
Dynamic Equilibrium at the HCOOH-Saturated TiO2(110)–Water Interface | The Journal of Physical Chemistry Letters | Fernanda Brandalise Nunes Nicolò Comini J Trey Diulus Thomas Huthwelker Marcella Iannuzzi | 2023/3/23 |
Nuclear quantum effects at aqueous metal interfaces captured by molecular dynamics simulations | Jinggang Lan Marcella Iannuzzi | 2022/6/1 | |
Connection between water’s dynamical and structural properties: Insights from ab initio simulations | Proceedings of the National Academy of Sciences | Cecilia Herrero Michela Pauletti Gabriele Tocci Marcella Iannuzzi Laurent Joly | 2022/5/24 |
Donors, acceptors, and a bit of aromatics: electronic interactions of molecular adsorbates on hBN and MoS 2 monolayers | Physical Chemistry Chemical Physics | Giacomo Melani Juan Pablo Guerrero-Felipe Ana M Valencia Jannis Krumland Caterina Cocchi | 2022 |
Dynamics and control of active sites in hierarchically nanostructured cobalt phosphide/chalcogenide-based electrocatalysts for water splitting | Energy & Environmental Science | Yonggui Zhao Nanchen Dongfang Carlos A Triana Chong Huang Rolf Erni | 2022 |
Optimized NiFe-based coordination polymer catalysts: Sulfur-tuning and operando monitoring of water oxidation | ACS nano | Yonggui Zhao Wenchao Wan Nanchen Dongfang Carlos A Triana Lewis Douls | 2022/9/7 |
In situ spectroelectrochemical probing of CO redox landscape on copper single-crystal surfaces | Proceedings of the National Academy of Sciences | Feng Shao Jun Kit Wong Qi Hang Low Marcella Iannuzzi Jingguo Li | 2022/7/19 |
Modeling Electrified Pt(111)-Had/Water Interfaces from Ab Initio Molecular Dynamics | JACS Au | Jia-Bo Le Ao Chen Lang Li Jing-Fang Xiong Jinggang Lan | 2021/4/6 |
Subsystem density functional theory augmented by a delta learning approach to achieve Kohn–Sham accuracy | Journal of Chemical Theory and Computation | Michela Pauletti Vladimir V Rybkin Marcella Iannuzzi | 2021/9/10 |
CO2 adsorption on the pristine and reduced CeO2 (111) surface: Geometries and vibrational spectra by first principles simulations | The Journal of Chemical Physics | Noah Baumann Jinggang Lan Marcella Iannuzzi | 2021/3/7 |
Nitrogen K-Edge X-ray Absorption Spectra of Ammonium and Ammonia in Water Solution: Assessing the Performance of Polarizable Embedding Coupled Cluster … | The Journal of Physical Chemistry Letters | Peter Reinholdt Marta L Vidal Jacob Kongsted Marcella Iannuzzi Sonia Coriani | 2021/9/9 |
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