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

Solvation or not solvation: tunneling reactions of molecules embedded in cryogenic matrices

溶剂化与否:嵌入低温基质中的分子的隧道反应

Mandelli, Giacomo; Aieta, Chiara; Ceotto, Michele

Quantum vibrational spectroscopy with classical trajectories

利用经典轨迹的量子振动光谱

Conte, Riccardo; Aieta, Chiara; Ceotto, Michele

Vibrational Spectroscopy Through Time Averaged Fourier Transform of Autocorrelated Molecular Dynamics Data: Introducing the Free SEMISOFT Web-Platform

基于自相关分子动力学数据的时间平均傅里叶变换的振动光谱学:免费网络平台 SEMISOFT 简介

Conte, Riccardo; Gandolfi, Michele; Moscato, Davide; Aieta, Chiara; Valtolina, Stefano; Ceotto, Michele

Theory of Nonadiabatic Tunneling Splitting

非绝热隧道分裂理论

Raso, Leonardo; Ceotto, Michele; Pollak, Eli

Semiclassical description of nuclear quantum effects in solvated and condensed phase molecular systems

溶剂化和凝聚相分子体系中核量子效应的半经典描述

Conte, Riccardo; Mandelli, Giacomo; Botti, Giacomo; Moscato, Davide; Lanzi, Cecilia; Cazzaniga, Marco; Aieta, Chiara; Ceotto, Michele

Analysis of the fight against the COVID-19 pandemic in long-term care facilities in the pre-vaccination period

对疫苗接种前长期护理机构抗击新冠肺炎疫情情况的分析

Carvalho, Jáder Freitas Maciel Garcia de; Santos, Rodrigo Ribeiro Dos; Couto, Alcimar Marcelo do; Neves, Juliana Santos; Moraes, Flávia Lanna de; Deslandes, Cristiana Ceotto; Jardim, Viviane Rodrigues; Tavares, Thiara Joanna Peçanha da Cruz; Azevedo, Raquel Souza; Moraes, Edgar Nunes de

Molecular Dynamics of Artificially Pair-Decoupled Systems: An Accurate Tool for Investigating the Importance of Intramolecular Couplings

人工解耦体系的分子动力学:研究分子内耦合重要性的精确工具

Gandolfi, Michele; Ceotto, Michele

Elucidating NO (x) Surface Chemistry at the Anatase (101) Surface in TiO(2) Nanoparticles

阐明二氧化钛纳米颗粒锐钛矿(101)表面上的NO(x)表面化学性质

Mino, Lorenzo; Cazzaniga, Marco; Moriggi, Francesco; Ceotto, Michele

Heavy Atom Tunneling in Organic Reactions at Coupled Cluster Potential Accuracy with a Parallel Implementation of Anharmonic Constant Calculations and Semiclassical Transition State Theory

利用非谐常数计算和半经典过渡态理论的并行实现,以耦合簇势精度研究有机反应中的重原子隧穿效应

Mandelli, Giacomo; Aieta, Chiara; Ceotto, Michele

Quantum Anharmonic Calculations of Vibrational Spectra for Water Adsorbed on Titania Anatase(101) Surface: Dissociative versus Molecular Adsorption

钛酸钛(101)表面吸附水的振动光谱的量子非谐计算:解离吸附与分子吸附

Cazzaniga, Marco; Micciarelli, Marco; Gabas, Fabio; Finocchi, Fabio; Ceotto, Michele