日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Exploring chemistry and catalysis by biasing skewed distributions via deep learning

利用深度学习偏向偏态分布来探索化学和催化领域

Zhang, Zhikun; Piccini, GiovanniMaria

Designing Light-Sensitive Organic Semiconductors with Azobenzenes for Photoelectrochemical Transistors as Neuromorphic Platforms

利用偶氮苯设计光敏有机半导体,用于光电化学晶体管作为神经形态平台

Berndt Paro, Isabela; Gini, Martina; D' Elia, Francesca; Massaro, Arianna; Corrado, Federica; Rana, Daniela; Varela, Ana; Elli, Giulia; Baumann, Matthias; Piccini, GiovanniMaria; Petti, Luisa; Leonori, Daniele; Muñoz-García, Ana Belen; Pavone, Michele; Offenhäusser, Andreas; Criscuolo, Valeria; Santoro, Francesca

Window[1]resorcin[3]arenes: A Novel Macrocycle Able to Self-Assemble to a Catalytically Active Hexameric Cage

窗口[1]间苯二酚[3]芳烃:一种能够自组装成具有催化活性的六聚体笼状结构的新型大环化合物

Li, Tian-Ren; Das, Chintu; Cornu, Ivan; Prescimone, Alessandro; Piccini, GiovanniMaria; Tiefenbacher, Konrad

Enantioselective Tail-to-Head Terpene Cyclizations by Optically Active Hexameric Resorcin[4]arene Capsule Derivatives

利用光学活性六聚间苯二酚[4]芳烃胶囊衍生物实现对映选择性尾部到头部萜烯环化反应

Sokolova, Daria; Piccini, GiovanniMaria; Tiefenbacher, Konrad

Confinement effects and acid strength in zeolites

沸石中的限域效应和酸强度

Grifoni, Emanuele; Piccini, GiovanniMaria; Lercher, Johannes A; Glezakou, Vassiliki-Alexandra; Rousseau, Roger; Parrinello, Michele

Deep learning the slow modes for rare events sampling

深度学习用于稀有事件采样的慢模式

Bonati, Luigi; Piccini, GiovanniMaria; Parrinello, Michele

Microscopic description of acid-base equilibrium

酸碱平衡的微观描述

Grifoni, Emanuele; Piccini, GiovanniMaria; Parrinello, Michele

Ab Initio Calculation of Rate Constants for Molecule-Surface Reactions with Chemical Accuracy

利用从头计算方法以化学精度计算分子-表面反应的速率常数

Piccini, GiovanniMaria; Alessio, Maristella; Sauer, Joachim