Anna Piras

Heidelberger Institut für Theoretische Studien - Heidelberg / Germany

Natural Sciences / Chemical Sciences

AD Scientific Index ID: 5276929

Heidelberg Institute for Theoretical Studies

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Anna Piras's MOST POPULAR ARTICLES

1-) Sensing and sensitivity: Computational chemistry of graphene‐based sensorsA Piras, C Ehlert, G Gryn\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\'ovaWiley Interdisciplinary Reviews: Computational Molecular Science 11 (5), e1526, 2021222021

2-) Rotational Spectrum and Conformational Analysis of N-Methyl-2-Aminoethanol: Insights into the Shape of Adrenergic NeurotransmittersC Calabrese, A Maris, L Evangelisti, A Piras, V Parravicini, S MelandriFrontiers in Chemistry 6, 25, 201892018

3-) CO2 on Graphene: Benchmarking Computational Approaches to Noncovalent InteractionsC Ehlert, A Piras, G Gryn’ovaACS Omega 8 (39), 35768–35778, 202352023

4-) Metal-Free Molecular Catalysts for the Oxygen Reduction Reaction: Electron Affinity as an Activity DescriptorC Ehlert, A Piras, J Schleicher, G Gryn’ovaThe Journal of Physical Chemistry Letters 14 (2), 476-480, 202352023

5-) The Law of Attraction: Relating Computed Energetics of Physisorption with Performance of Graphene-Based Sensors for Nitroaromatic ContaminantsA Piras, G Gryn\\\'ova22021

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