Details
Title
Petraglia, Riccardo
Sciper ID
220748
Publications
A Caveat on SCC-DFTB and Non-covalent Interactions Involving Sulfur Atoms
A fast charge-dependent atom-pairwise dispersion correction for DFTB3
Beyond Static Structures: Putting Forth REMD as a Tool to Solve Problems in Computational Organic Chemistry
Development of Accurate and Efficient Electronic Structure Approaches for the Description of Organic Systems
Exploiting Dispersion-driven Aggregators as a Route to New One-dimensional Organic Nanowires
Functional carbon nanosheets prepared from hexayne amphiphile monolayers at room temperature
Photochromic Torsional Switch (PTS): a Light-Driven Actuator for the Dynamic Tuning of π-Conjugation Extension
i-PI 2.0: A universal force engine for advanced molecular simulations
A fast charge-dependent atom-pairwise dispersion correction for DFTB3
Beyond Static Structures: Putting Forth REMD as a Tool to Solve Problems in Computational Organic Chemistry
Development of Accurate and Efficient Electronic Structure Approaches for the Description of Organic Systems
Exploiting Dispersion-driven Aggregators as a Route to New One-dimensional Organic Nanowires
Functional carbon nanosheets prepared from hexayne amphiphile monolayers at room temperature
Photochromic Torsional Switch (PTS): a Light-Driven Actuator for the Dynamic Tuning of π-Conjugation Extension
i-PI 2.0: A universal force engine for advanced molecular simulations
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