Edoardo Apra (Edoardo Aprá, Edoardo Aprà, E Aprà)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 25

Top Venues

The journal of physical chemistry. A

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

Università degli Studi di Torino (PHD)

This page only lists publications with an associated author ORCID identifier.

Education History

Università degli Studi di Torino

Italy

PHD :: Chemistry

Publications

Kristina M Herman, Edoardo Apra, Sotiris S Xantheas
A critical comparison of CH⋯π versus π⋯π interactions in the benzene dimer: obtaining benchmarks at the CCSD(T) level and assessing the accuracy of lower scaling methods. Physical chemistry chemical physics : PCCP (2023)
Kristina M Herman, Edoardo Apra, Sotiris S Xantheas
A critical comparison of CH⋯π versus π⋯π interactions in the benzene dimer: obtaining benchmarks at the CCSD(T) level and assessing the accuracy of lower scaling methods. Physical chemistry chemical physics : PCCP 25 (6) (2023)
Kuan-Ting Lin, Chenxi Wang, Mond F Guo, Edoardo Apra, Ruoshui Ma, Arthur J Ragauskas, Xiao Zhang
Lignin with controlled structural properties by N-heterocycle-based deep eutectic solvent extraction. Proceedings of the National Academy of Sciences of the United States of America 120 (32) (2023)
Daniel Mejía-Rodríguez, Alexander A Kunitsa, John L Fulton, Edoardo Apra, Niranjan Govind
G 0 W 0 Ionization Potentials of First-Row Transition Metal Aqua Ions. The journal of physical chemistry. A (2023)
Daniel Mejía-Rodríguez, Edoardo Apra, Jochen Autschbach, Nicholas P Bauman, Eric J Bylaska, Niranjan Govind, Jeff R Hammond, Karol Kowalski, Alexander Kunitsa, Ajay Panyala, Bo Peng, John J Rehr, Huajing Song, Sergei Tretiak, Marat Valiev, Fernando D Vila
NWChem: Recent and Ongoing Developments. Journal of chemical theory and computation (2023)
Venkateshkumar Prabhakaran, Joelle Romo, Ashish Bhattarai, Kyle George, Zachary M Norberg, David Kalb, Edoardo Apra, Peter A Kottke, Andrei G Fedorov, Patrick Z El-Khoury, Grant E Johnson, Julia Laskin
Integrated photoelectrochemical energy storage cells prepared by benchtop ion soft landing. Chemical communications (Cambridge, England) 58 (65) (2022)
Xin Ma, Markus Rohdenburg, Harald Knorke, Sebastian Kawa, Judy Kuan-Yu Liu, Edoardo Apra, Knut R Asmis, Vladimir A Azov, Julia Laskin, Carsten Jenne, Hilkka I Kenttämaa, Jonas Warneke
Binding of saturated and unsaturated C 6 -hydrocarbons to the electrophilic anion [B 12 Br 11 ] - : a systematic mechanistic study. Physical chemistry chemical physics : PCCP 24 (36) (2022)
Daniel Mejía-Rodríguez, Alexander Kunitsa, Edoardo Apra, Niranjan Govind
Basis Set Selection for Molecular Core-Level GW Calculations. Journal of chemical theory and computation 18 (8) (2022)
Qinqin Yuan, Markus Rohdenburg, Wenjin Cao, Edoardo Apra, Johannes Landmann, Maik Finze, Jonas Warneke, Xue-Bin Wang
Isolated [B2(CN)6]2-: Small Yet Exceptionally Stable Nonmetal Dianion. The journal of physical chemistry letters (2021)
Joseph P Heindel, Kristina M Herman, Edoardo Apra, Sotiris S Xantheas
Guest-Host Interactions in Clathrate Hydrates: Benchmark MP2 and CCSD(T)/CBS Binding Energies of CH4, CO2, and H2S in (H2O)20 Cages. The journal of physical chemistry letters 12 (31) (2021)
Daniel Mejía-Rodríguez, Alexander Kunitsa, Edoardo Apra, Niranjan Govind
Scalable Molecular GW Calculations: Valence and Core Spectra. Journal of chemical theory and computation (2021)
Edoardo Apra, Eric J Bylaska, Wibe A de Jong, Niranjan Govind, Karol Kowalski, T P Straatsma, Marat Valiev, H J J van Dam, Yuri Alexeev, J Anchell, V Anisimov, F W Aquino, R Atta-Fynn, Jochen Autschbach, Nicholas P Bauman, J C Becca, D E Bernholdt, K Bhaskaran-Nair, S Bogatko, P Borowski, J Boschen, J Brabec, A Bruner, E Cauët, Y Chen, Gennady N Chuev, Christopher J Cramer, J Daily, M J O Deegan, Thom H Dunning, Michel Dupuis, K G Dyall, G I Fann, S A Fischer, A Fonari, H Früchtl, Soumen Ghosh, J Garza, N Gawande, Soumen Ghosh, K Glaesemann, Andreas W Götz, Jeff R Hammond, Volkhard Helms, E D Hermes, K Hirao, So Hirata, M Jacquelin, Lasse Jensen, B G Johnson, Hannes Jónsson, R A Kendall, M Klemm, Rika Kobayashi, V Konkov, S Krishnamoorthy, M Krishnan, Z Lin, R D Lins, R J Littlefield, Andrew James Logsdail, Kenneth Lopata, W Ma, A V Marenich, Jorge M Del Campo, Daniel Mejía-Rodríguez, J E Moore, J M Mullin, Takahito Nakajima, D R Nascimento, J A Nichols, P J Nichols, J Nieplocha, A Otero-de-la-Roza, B Palmer, Ajay Panyala, Teerapong Pirojsirikul, Bo Peng, Roberto Peverati, J Pittner, L Pollack, Ryan M Richard, P Sadayappan, George C Schatz, W A Shelton, D W Silverstein, D M A Smith, Thereza A Soares, Duo Song, Marcel Swart, H L Taylor, G S Thomas, V Tipparaju, Donald G Truhlar, K Tsemekhman, T Van Voorhis, Á Vázquez-Mayagoitia, Prakash Verma, O Villa, A Vishnu, K D Vogiatzis, Dunyou Wang, J H Weare, Mark J Williamson, T L Windus, K Woliński, A T Wong, Qin Wu, C Yang, Q Yu, M Zacharias, Zhiyong Zhang, Yan Zhao, R J Harrison
NWChem: Past, present, and future. The Journal of chemical physics 152 (18) (2020)
Jonas Warneke, Martin Mayer, Markus Rohdenburg, Xin Ma, Judy K Y Liu, Max Grellmann, Sreekanta Debnath, Vladimir A Azov, Edoardo Apra, Robert P Young, Carsten Jenne, Grant E Johnson, Hilkka I Kenttämaa, Knut R Asmis, Julia Laskin
Direct functionalization of C-H bonds by electrophilic anions. Proceedings of the National Academy of Sciences of the United States of America 117 (38) (2020)
Edoardo Apra, Ashish Bhattarai, Eric Baxter, ShanYi Wang, Grant E Johnson, Niranjan Govind, Patrick Z El-Khoury
Simplified Ab Initio Molecular Dynamics-Based Raman Spectral Simulations. Applied spectroscopy 74 (11) (2020)
Martin Mayer, Valentin van Lessen, Markus Rohdenburg, Gao-Lei Hou, Zheng Yang, Rüdiger M Exner, Edoardo Apra, Vladimir A Azov, Simon Grabowsky, Sotiris S Xantheas, Knut R Asmis, Xue-Bin Wang, Carsten Jenne, Jonas Warneke
Rational design of an argon-binding superelectrophilic anion. Proceedings of the National Academy of Sciences of the United States of America 116 (17) (2019)
Edoardo Apra, Ashish Bhattarai, Patrick Z El-Khoury
Gauging Molecular Orientation through Time Domain Simulations of Surface-Enhanced Raman Scattering. The journal of physical chemistry. A 123 (32) (2019)
Ren-Zhong Li, Qinqin Yuan, Zheng Yang, Edoardo Apra, Zhipeng Li, Vladimir A Azov, Kaplan Kirakci, Jonas Warneke, Xue-Bin Wang
Photoelectron spectroscopy of [Mo6X14]2- dianions (X = Cl-I). The Journal of chemical physics 151 (19) (2019)
Edoardo Apra, Ashish Bhattarai, Kevin T Crampton, Eric J Bylaska, Niranjan Govind, Wayne P Hess, Patrick Z El-Khoury
Time Domain Simulations of Single Molecule Raman Scattering. The journal of physical chemistry. A 122 (37) (2018)
Le Chang, Oscar Baseggio, Luca Sementa, Daojian Cheng, Giovanna Fronzoni, Daniele Toffoli, Edoardo Apra, Mauro Stener, Alessandro Fortunelli
Individual Component Map of Rotatory Strength and Rotatory Strength Density Plots As Analysis Tools of Circular Dichroism Spectra of Complex Systems. Journal of chemical theory and computation 14 (7) (2018)
Chongqi Yu, Wolfgang Harbich, Luca Sementa, Luca Ghiringhelli, Edoardo Apra, Mauro Stener, Alessandro Fortunelli, Harald Brune
Intense fluorescence of Au20. The Journal of chemical physics 147 (7) (2018)
Jonas Warneke, Martin E McBriarty, Shawn L Riechers, Swarup China, Mark H Engelhard, Edoardo Apra, Robert P Young, Nancy M Washton, Carsten Jenne, Grant E Johnson, Julia Laskin
Self-organizing layers from complex molecular anions. Nature communications 9 (1) (2018)
Sean A Fischer, Edoardo Apra, Niranjan Govind, Wayne P Hess, Patrick Z El-Khoury
Nonequilibrium Chemical Effects in Single-Molecule SERS Revealed by Ab Initio Molecular Dynamics Simulations. The journal of physical chemistry. A 121 (6) (2017)
Jonas Warneke, Gao-Lei Hou, Edoardo Apra, Carsten Jenne, Zheng Yang, Zhengbo Qin, Karol Kowalski, Xue-Bin Wang, Sotiris S Xantheas
Electronic Structure and Stability of [B12X12]2- (X = F-At): A Combined Photoelectron Spectroscopic and Theoretical Study. Journal of the American Chemical Society 139 (41) (2017)
Milan Rambukwella, Shayna Burrage, Marie Neubrander, Oscar Baseggio, Edoardo Apra, Mauro Stener, Alessandro Fortunelli, Amala Dass
Au38(SPh)24: Au38 Protected with Aromatic Thiolate Ligands. The journal of physical chemistry letters 8 (7) (2017)
Bo Peng, Niranjan Govind, Edoardo Apra, Michael Klemm, Jeff R Hammond, Karol Kowalski
Coupled Cluster Studies of Ionization Potentials and Electron Affinities of Single-Walled Carbon Nanotubes. The journal of physical chemistry. A 121 (6) (2017)

Edoardo Apra.css-eqlu8i{font-size:small;padding-left:4px;} (Edoardo Aprá, Edoardo Aprà, E Aprà)

Publication Activity (10 Years)

Top Topics

Top Venues

Edoardo Apra (Edoardo Aprá, Edoardo Aprà, E Aprà)