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

Chirality induced long-range spin-selective transport in helical 3D metal–organic frameworks

手性诱导螺旋三维金属有机框架中的长程自旋选择性输运

期刊:Journal of Physical Chemistry Letters
影响因子:4.6
doi:10.1021/acs.jpclett.5c01808
Moitra, Torsha; Konecny, Lukas; Kadek, Marius; Neufeld, Ofer; Rubio, Angel; Repisky, Michal; Singh Bisht, Pravesh; Garg, Rabia; Das, Tapan Kumar; Bhatt, Nidhi; Sahoo, Subash Chandra; Mondal, Amit Kumar
发表日期：2026
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X2C Hamiltonian Models in ReSpect: Bridging Accuracy and Efficiency

ReSpect 中的 X2C 哈密顿模型：兼顾精度和效率

期刊:Journal of Physical Chemistry A
影响因子:2.8
doi:10.1021/acs.jpca.5c02990
Repisky, Michal; Komorovsky, Stanislav; Konecny, Lukas; Kadek, Marius; Moitra, Torsha; Joosten, Marc; Misenkova, Debora; Vikhamar-Sandberg, Rasmus; Kaupp, Martin; Ruud, Kenneth; Malkina, Olga L; Malkin, Vladimir G
发表日期：2025
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Cost-Efficient High-Resolution Linear Absorption Spectra through Extrapolating the Dipole Moment from Real-Time Time-Dependent Electronic-Structure Theory

通过实时时变电子结构理论外推偶极矩，实现低成本高分辨率线性吸收光谱

期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.3c00727
Hauge, Eirill; Kristiansen, Håkon Emil; Konecny, Lukas; Kadek, Marius; Repisky, Michal; Pedersen, Thomas Bondo
发表日期：2023
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Accurate Relativistic Real-Time Time-Dependent Density Functional Theory for Valence and Core Attosecond Transient Absorption Spectroscopy

用于价层和内层阿秒瞬态吸收光谱的精确相对论实时含时密度泛函理论

期刊:Journal of Physical Chemistry Letters
影响因子:4.6
doi:10.1021/acs.jpclett.2c03599
Moitra, Torsha; Konecny, Lukas; Kadek, Marius; Rubio, Angel; Repisky, Michal
发表日期：2023
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Accurate X-ray Absorption Spectra near L- and M-Edges from Relativistic Four-Component Damped Response Time-Dependent Density Functional Theory

利用相对论四分量阻尼响应时变密度泛函理论精确计算L吸收边和M吸收边附近的X射线吸收光谱

期刊:Inorganic Chemistry
影响因子:4.7
doi:10.1021/acs.inorgchem.1c02412
Konecny, Lukas; Vicha, Jan; Komorovsky, Stanislav; Ruud, Kenneth; Repisky, Michal
发表日期：2022
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Implementation of Relativistic Coupled Cluster Theory for Massively Parallel GPU-Accelerated Computing Architectures

面向大规模并行GPU加速计算架构的相对论耦合簇理论的实现

期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.1c00260
Pototschnig, Johann V; Papadopoulos, Anastasios; Lyakh, Dmitry I; Repisky, Michal; Halbert, Loïc; Severo Pereira Gomes, André; Jensen, Hans Jørgen Aa; Visscher, Lucas
发表日期：2021
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First-Principles Calculation of (1)H NMR Chemical Shifts of Complex Metal Polyhydrides: The Essential Inclusion of Relativity and Dynamics

基于第一性原理计算复杂金属多氢化物的 (1)H NMR 化学位移：相对论和动力学的必要纳入

期刊:Inorganic Chemistry
影响因子:4.7
doi:10.1021/acs.inorgchem.0c02753
Castro, Abril C; Balcells, David; Repisky, Michal; Helgaker, Trygve; Cascella, Michele
发表日期：2020
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