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

DFTB Parametrization at the Example of Platinum-Implementation, Validation and Practical Considerations

DFTB 参数化以 Platinum 为例——实现、验证和实际考虑

期刊:Journal of Computational Chemistry
影响因子:4.8
doi:10.1002/jcc.70342
Purtscher, Felix R S; Penz, Armin; Gallmetzer, Josef M; Gamper, Jakob; Hofer, Thomas S
发表日期：2026
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Autocatalytic degradation of the extremely potent greenhouse gas SF(6) in basic alcoholic solution

强效温室气体SF(6)在碱性醇溶液中的自催化降解

期刊:Nature Communications
影响因子:15.7
doi:10.1038/s41467-025-67158-w
Sietmann, A; Heinzel, P; Gamper, J; Leitner, D; Pasqualini, L C; Purtscher, F R S; Kopacka, H; Hofer, T S; Zemann, A; Dielmann, F
发表日期：2025
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Parametrization of Zirconium for DFTB3/3OB: A Pathway to Study Complex Zr-Compounds for Biomedical and Material Science Applications

DFTB3/3OB中锆的参数化：研究用于生物医学和材料科学应用的复杂锆化合物的途径

期刊:Journal of Computational Chemistry
影响因子:4.8
doi:10.1002/jcc.70140
Penz, Armin; Gamper, Jakob; Gallmetzer, Josef M; Purtscher, Felix R S; Hofer, Thomas S
发表日期：2025
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Temperature-Dependent Formation of Carbon Nanodomains in Silicon Oxycarbide Glass-A Reactive Force Field MD Study

温度依赖性碳氧化硅玻璃中碳纳米畴的形成——反应力场分子动力学研究

期刊:Journal of Physical Chemistry C
影响因子:3.2
doi:10.1021/acs.jpcc.4c05132
Kriesche, Bernhard M; Purtscher, Felix R S; Hörfarter, Benedikt E; Stüwe, Teja; Greussing, Victoria; Friedel, Bettina; Portenkirchner, Engelbert; Hofer, Thomas S
发表日期：2025
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Strain-induced bands of Büngner formation promotes axon growth in 3D tissue-engineered constructs

应变诱导的 Büngner 形成带促进 3D 组织工程结构中的轴突生长

期刊:Journal of Tissue Engineering
影响因子:6.7
doi:10.1177/20417314231220396
Carina Hromada, Dorota Szwarc-Hofbauer, Mai Quyen Nguyen, Janine Tomasch, Michaela Purtscher, David Hercher, Andreas Herbert Teuschl-Woller
3D/类器官
发表日期：2024
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Polarity profiling of porous architectures: solvatochromic dye encapsulation in metal-organic frameworks

多孔结构的极性分析：金属有机框架中溶剂变色染料的封装

期刊:Journal of Materials Chemistry C
影响因子:5.1
doi:10.1039/d4tc01401d
Schwartz, Heidi A; Atar, Murat; Spilles, Matthias; Fill, Michael; Ott, Manuel; Purtscher, Felix R S; Gallmetzer, Josef M; Öcal, Baris; Olthof, Selina; Griesbeck, Axel; Meerholz, Klaus; Hofer, Thomas S; Ruschewitz, Uwe
发表日期：2024
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High-pressure synthesis and crystal structure analysis of PbTeO(4), a UV transparent material

紫外透明材料PbTeO(4)的高压合成及晶体结构分析

期刊:Dalton Transactions
影响因子:3.3
doi:10.1039/d4dt02697g
Hladik, Michael; Penz, Armin; Purtscher, Felix R S; Hofer, Thomas S; Heymann, Gunter; Weil, Matthias
发表日期：2024
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K(0.72)Na(1.71)Ca(5.79)Si(6)O(19) - the first oligosilicate based on [Si(6)O(19)]-hexamers and its stability compared to cyclosilicates

K(0.72)Na(1.71)Ca(5.79)Si(6)O(19)——首个基于[Si(6)O(19)]-六聚体的低聚硅酸盐及其与环状硅酸盐的稳定性比较

期刊:Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials
影响因子:1.3
doi:10.1107/S2052520624007352
Kahlenberg, Volker; Krüger, Hannes; Garber, Sonja; Krüger, Biljana; Libowitzky, Eugen; Kröll, Stefanie; Hofer, Thomas S; Gallmetzer, Josef M; Purtscher, Felix R S
发表日期：2024
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Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes

末端亚甲基膦离子：瞬态单取代膦基卡宾的前体

期刊:Chemical Science
影响因子:7.4
doi:10.1039/d3sc02899b
Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R S; Gamper, Jakob; Hofer, Thomas S; Wilm, Lukas F B; Röthel, Maike B; Dielmann, Fabian
发表日期：2023
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Beyond the Status Quo: Density Functional Tight Binding and Neural Network Potentials as a Versatile Simulation Strategy to Characterize Host-Guest Interactions in Metal- and Covalent Organic Frameworks

超越现状：密度泛函紧束缚和神经网络势作为一种多功能模拟策略，用于表征金属和共价有机框架中的主客体相互作用

期刊:Journal of Physical Chemistry Letters
影响因子:4.6
doi:10.1021/acs.jpclett.3c00941
Hofer, Thomas S; Listyarini, Risnita Vicky; Hajdarevic, Emir; Maier, Lukas; Purtscher, Felix R S; Gamper, Jakob; Hanser, Friedrich
发表日期：2023
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