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Leonardo Belpassi

Università degli Studi di Perugia and Consiglio Nazionale delle Ricerche

40H指数
160论文数
4.8K被引数
收录论文 83
发表时间
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Environmental Effects via Frozen Density Embedding in Real-Time Time-Dependent Dirac–Kohn–Sham Theory: Solvation of Lead Halides通过冻结密度嵌入在实时含时Dirac–Kohn–Sham理论中的环境效应：卤化铅的溶剂化
errJournal of Chemical Theory and Computation
IF5.5
err2026-02-23
err0
errOAAI
errMatteo De Santis; Edoardo Mosconi; Leonardo Pacifici; Valérie Vallet; André Severo Pereira Gomes; Loriano Storchi; Leonardo Belpassi
err分享
err收藏
Computational Understanding of Catalyst Design: Palladium Pincer Complexes for Carbon Dioxide Hydrogenation碳催化剂设计的计算理解：用于二氧化碳氢化的钯钳形配合物
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2025-12-01
err0
errOAAI
errPietracci, Chiara; Belpassi, Leonardo; Belanzoni, Paola
err分享
err收藏
Automatic Generation of Density-Fitting Auxiliary Basis Sets for All-Electron Dirac–Kohn–Sham Calculations全电子狄拉克–库侬–舒姆计算中密度拟合辅助基组的自动生成
errThe Journal of Physical Chemistry A
IF0
err2025-07-16
err0
errOAAI
errNicoló Antonini; Enrico Ronca; Loriano Storchi; Leonardo Belpassi
err分享
err收藏
Mechanistic Insights into Molecular Oxygen Reactivity with Late Transition Metal–Hydride Bonds对晚期过渡金属-氢化物键与分子氧反应活性的机制洞察
errInorganic Chemistry
IF4.7
err2025-07-13
err0
errOAAI
errDiego Sorbelli; Leonardo Belpassi; Paola Belanzoni
err分享
err收藏
Acceleration of the Relativistic Dirac-Kohn-Sham Method with GPU: A Pre-Exascale Implementation of BERTHA and PyBERTHAGPU加速的相对论性Dirac-Kohn-Sham方法：BERTHA和PyBERTHA的Pre-Exascale实现
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-03-21
err0
errOAAI
errStorchi, Loriano; Bellentani, Laura; Hammond, Jeff; Orlandini, Sergio; Pacifici, Leonardo; Antonini, Nicolo; Belpassi, Leonardo
err分享
err收藏
Monomeric gold hydrides for carbon dioxide reduction: ligand effect on the reactivity用于二氧化碳还原的单体金氢化物: 配体对反应性的影响
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2024-02-14
err1
errOAAI
errRossi, Elisa; Sorbelli, Diego; Belanzoni, Paola; Belpassi, Leonardo; Ciancaleoni, Gianluca
err分享
err收藏
Cooperative small molecule activation by apolar and weakly polar bonds through the lens of a suitable computational protocol
errCHEMICAL COMMUNICATIONS
IF4.2
err2024-01-01
err3
errOAAI
errSorbelli, Diego; Belpassi, Leonardo; Belanzoni, Paola
err分享
err收藏
Widening the Landscape of Small Molecule Activation with Gold-Aluminyl Complexes: A Systematic Study of E-H (E=O, N) Bonds, SO2 and N2O Activation用金铝基配合物拓宽小分子活化的前景: e-h (E = O，N) 键，SO2和N2O活化的系统研究
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2023-03-09
err4
errOAAI
errSorbelli, Diego; Belpassi, Leonardo; Belanzoni, Paola
err分享
err收藏
How reduced are nucleophilic gold complexes?
errDALTON TRANSACTIONS
IF3.3
err2023-01-01
err4
errOAAI
errLeach, Isaac F.; Sorbelli, Diego; Belpassi, Leonardo; Belanzoni, Paola; Havenith, Remco W. A.; Klein, Johannes E. M. N.
err分享
err收藏
Radical-like reactivity for dihydrogen activation by coinage metal-aluminyl complexes: computational evidence inspired by experimental main group chemistry
errCHEMICAL SCIENCE
IF7.4
err2023-01-01
err3
errOAAI
errSorbelli, Diego; Belpassi, Leonardo; Belanzoni, Paola
err分享
err收藏
Mechanistic Study of Alkyne Insertion into Cu-Al and Au-Al Bonds: A Paradigm Shift for Coinage Metal Chemistry
errINORGANIC CHEMISTRY
IF4.7
err2022-12-09
err5
errOAAI
errSorbelli, Diego; Belpassi, Leonardo; Belanzoni, Paola
err分享
err收藏
Frozen-Density Embedding for Including Environmental Effects in the Dirac-Kohn-Sham Theory: An Implementation Based on Density Fitting and Prototyping Techniques
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-09-29
err4
errOAAI
errDe Santis, Matteo; Sorbelli, Diego; Vallet, Valerie; Gomes, Andre Severo Pereira; Storchi, Loriano; Belpassi, Leonardo
err分享
err收藏
Gold-Aluminyl and Gold-Diarylboryl Complexes: Bonding and Reactivity with Carbon Dioxide
errINORGANIC CHEMISTRY
IF4.7
err2022-05-05
err11
errOAAI
errSorbelli, Diego; Rossi, Elisa; Havenith, Remco W. A.; Klein, Johannes E. M. N.; Belpassi, Leonardo; Belanzoni, Paola
err分享
err收藏
An ETS-NOCV-based computational strategies for the characterization of concerted transition states involving CO2
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2022-02-23
err9
errOAAI
errSorbelli, Diego; Belanzoni, Paola; Belpassi, Leonardo; Lee, Ji-Woong; Ciancaleoni, Gianluca
err分享
err收藏
What Singles out Aluminyl Anions? A Comparative Computational Study of the Carbon Dioxide Insertion Reaction in Gold-Aluminyl, -Gallyl, and -Indyl Complexes
errINORGANIC CHEMISTRY
IF4.7
err2022-01-06
err15
errOAAI
errSorbelli, Diego; Belpassi, Leonardo; Belanzoni, Paola
err分享
err收藏
Unraveling differences in aluminyl and carbene coordination chemistry: bonding in gold complexes and reactivity with carbon dioxide
errCHEMICAL SCIENCE
IF7.4
err2022-01-01
err9
errOAAI
errSorbelli, Diego; Belpassi, Leonardo; Belanzoni, Paola
err分享
err收藏
Reactivity of a Gold-Aluminyl Complex with Carbon Dioxide: A Nucleophilic Gold?
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2021-09-02
err31
errOAAI
errSorbelli, Diego; Belpassi, Leonardo; Belanzoni, Paola
err分享
err收藏
Monitoring of the Pre-Equilibrium Step in the Alkyne Hydration Reaction Catalyzed by Au(III) Complexes: A Computational Study Based on Experimental Evidences
errMOLECULES
IF4.6
err2021-04-22
err5
errOAAI
errSabatelli, Flavio; Segato, Jacopo; Belpassi, Leonardo; Del Zotto, Alessandro; Zuccaccia, Daniele; Belanzoni, Paola
err分享
err收藏
The mechanism of the gold(i)-catalyzed Meyer-Schuster rearrangement of 1-phenyl-2-propyn-1-ol via 4-endo-dig cyclization
errDALTON TRANSACTIONS
IF3.3
err2021-01-01
err5
PREAI
errSorbelli, Diego; Segato, Jacopo; Del Zotto, Alessandro; Belpassi, Leonardo; Zuccaccia, Daniele; Belanzoni, Paola
err分享
err收藏
Environmental Effects with Frozen-Density Embedding in Real-Time Time-Dependent Density Functional Theory Using Localized Basis Functions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-07-27
err14
errOAAI
errDe Santis, Matteo; Belpassi, Leonardo; Jacob, Christoph R.; Gomes, Andre Severo Pereira; Tarantelli, Francesco; Visscher, Lucas; Storchi, Loriano
err分享
err收藏

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