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D

Daniel Tunega

BOKU University

42H指数
208论文数
5.1K被引数
收录论文 69
发表时间
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Exploring 2,4,6-trinitrotolulene and α/γ-Al2O3 energetic composite stability − A first principles approach探索2,4,6-三硝基甲苯和α/γ-Al₂O₃高能复合物的稳定性——基于第一性原理的方法
errApplied Surface Science
IF6.9
err2026-08-17
err0
PREAI
errJerimiah A. Zamora; Michelle L. Pantoya; Daniel Tunega; Adelia J.A. Aquino
err分享
err收藏
A Computational Approach to the Analysis of the Initial Steps of Dehydration in Aluminum (Oxy)hydroxides一种计算方法用于分析铝(氧)氢氧化物脱水初始步骤
errThe Journal of Physical Chemistry C
IF3.2
err2026-06-08
err0
PREAI
errTristan A. Fisher; Mahmuda Ishrat Malek; Michelle L. Pantoya; Daniel Tunega; Adelia J. A. Aquino
err分享
err收藏
Surface interactions and radical generation in TCD decomposition: a DFT approach
errJOURNAL OF MOLECULAR MODELING
IF2.5
err2025-10-27
err0
errOAAI
errKnoth, Samantha E.; Tunega, Daniel; Aquino, Adelia J. A.
err分享
err收藏
Perchlorate and periodate adsorption by tetrahexylphosphonium-modified beidellite clay高氯酸盐和碘酸盐在十六烷基膦鎓修饰的贝得石黏土上的吸附
errJournal of Molecular Structure
IF4.7
err2025-08-24
err0
PREAI
errPeter Škorňa; Ľuboš Jankovič; Eva Scholtzová; Daniel Tunega
err分享
err收藏
The influence of surface hydration on aluminum oxidation表面水化对铝氧化的影响
errSurfaces and Interfaces
IF6.3
err2025-08-13
err0
PREAI
errMahmuda Ishrat Malek; Tristan A. Fisher; Daniel Tunega; Adelia J.A. Aquino; Michelle L. Pantoya
err分享
err收藏
Theoretical Study on Adsorption of Halogenated Benzenes on Montmorillonites Modified With M(I)/M(II) Cations
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2025-01-28
err0
errOAAI
errTunega, Daniel; Gerzabek, Martin H.; Boehm, Leonard
err分享
err收藏
Effects of TiO2 Anatase Polymorph on Ammonium Perchlorate Decomposition
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2024-11-04
err2
PREAI
errde Rezende, Armando; Zamora, Jeremiah; Braga, Leticia S.; Pantoya, Michelle L.; Tunega, Daniel; Demko, Andrew R.; Aquino, Adelia J. A.
err分享
err收藏
Modeling adsorption reactions of ammonium perchlorate on rutile and anatase surfaces
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-08-14
err0
PREAI
errZamora, Jerimiah A.; de Rezende, Armando; Nieman, Reed; Vaz, Neil; Demko, Andrew R.; Pantoya, Michelle L.; Tunega, Daniel; Aquino, Adelia J. A.
err分享
err收藏
Reductive Dechlorination of Chlorinated Ethenes at the Sulfidated Zero-Valent Iron Surface: A Mechanistic DFT Study
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2024-02-28
err1
errOAAI
errBrumovsky, Miroslav; Tunega, Daniel
err分享
err收藏
Prediction of Phase Transition and Ignition Sensitivity of Ammonium Periodate
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2024-01-26
err1
PREAI
errde Rezende, Armando; Pantoya, Michelle L.; Tunega, Daniel; Aquino, Adelia J. A.
err分享
err收藏
Intrinsic Effects of Sulfidation on the Reactivity of Zero-Valent Iron With Trichloroethene: A DFT Study
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-10-24
err4
errOAAI
errBrumovsky, Miroslav; Tunega, Daniel
err分享
err收藏
Edge-Site-Free and Topological-Defect-Rich Carbon Cathode for High-Performance Lithium-Oxygen Batteries用于高性能锂氧电池的无边缘位且富含拓扑缺陷的碳阴极
errADVANCED SCIENCE
IF14.1
err2023-04-07
err32
errOAAI
errYu, Wei; Yoshii, Takeharu; Aziz, Alex; Tang, Rui; Pan, Zheng-Ze; Inoue, Kazutoshi; Kotani, Motoko; Tanaka, Hideki; Scholtzova, Eva; Tunega, Daniel; Nishina, Yuta; Nishioka, Kiho; Nakanishi, Shuji; Zhou, Yi; Terasaki, Osamu; Nishihara, Hirotomo
err分享
err收藏
Wettability of siloxane surfaces assessed by molecular dynamics, contact angle determination, and X-ray photoelectron spectroscopy通过分子动力学，接触角测定和x射线光电子能谱评估硅氧烷表面的润湿性
errAPPLIED SURFACE SCIENCE
IF6.9
err2023-02-01
err11
PREAI
errTunega, Daniel; Solc, Roland; Grancic, Peter; Gerzabek, Martin H.; Goebel, Marc-Oliver; Guggenberger, Georg; Bachmann, Joerg; Woche, Susanne K.
err分享
err收藏
Iron nitride nanoparticles for rapid dechlorination of mixed chlorinated ethene contamination
errJOURNAL OF HAZARDOUS MATERIALS
IF11.3
err2023-01-01
err16
errOAAI
errBrumovsky, Miroslav; Micic, Vesna; Oborna, Jana; Filip, Jan; Hofmann, Thilo; Tunega, Daniel
err分享
err收藏
Density Functional Theory Analysis Identifying the Mechanism for Ignition Sensitivity of Ammonium Periodate Compared with Ammonium Perchlorate
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2022-12-19
err3
PREAI
errRezende, Armando de; Pantoya, Michelle L.; Tunega, Daniel; Fuchs, Brian; Demko, Andrew R.; Aquino, Adelia J. A.
err分享
err收藏
Machine Learning for Designing Mixed Metal Halides for Efficient Ammonia Separation and Storage
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2022-07-19
err13
PREAI
errde Rezende, Armando; Malmali, Mahdi; Dral, Pavlo O.; Lischka, Hans; Tunega, Daniel; Aquino, Adelia J. A.
err分享
err收藏
Iron Nitride Nanoparticles for Enhanced Reductive Dechlorination of Trichloroethylene
errENVIRONMENTAL SCIENCE & TECHNOLOGY
IF11.3
err2022-03-09
err45
errOAAI
errBrumovsky, Miroslav; Oborna, Jana; Micic, Vesna; Malina, Ondrej; Kaslik, Josef; Tunega, Daniel; Kolos, Miroslav; Hofmann, Thilo; Karlicky, Frantisek; Filip, Jan
err分享
err收藏
Soil organic matter stabilization at molecular scale: The role of metal cations and hydrogen bonds在分子尺度上稳定土壤有机质: 金属阳离子和氢键的作用
errGEODERMA
IF6.6
err2021-11-01
err28
errOAAI
errGalicia-Andres, Edgar; Escalona, Yerko; Oostenbrink, Chris; Tunega, Daniel; Gerzabek, Martin H.
err分享
err收藏
Regulating magnesium combustion using surface chemistry and heating rate
errCOMBUSTION AND FLAME
IF6.2
err2021-04-01
err9
errOAAI
errShancita, Islam; Vaz, Neil G.; Fernandes, Guilherme D.; Aquino, Adelia J. A.; Tunega, Daniel; Pantoya, Michelle L.
err分享
err收藏
Reaction mechanism for fluorination reactions with hydroxylated alumina sites: Pathways promoting aluminum combustion
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-03-11
err3
errOAAI
errTunega, Daniel; Pantoya, Michelle L.; Nieman, Reed; Lischka, Hans; Aquino, Adelia J. A.
err分享
err收藏

研究方向

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合作学者
合作期刊
O
Osamu Terasaki
H 指数: 98 · 论文数: 646
G
Georg Guggenberger
H 指数: 93 · 论文数: 559
W
William L. Hase
H 指数: 74 · 论文数: 510
H
Hans Lischka
H 指数: 74 · 论文数: 444
T
Thilo Hofmann
H 指数: 68 · 论文数: 424
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