登录注册
Quick Links : Mindat手册The Rock H. Currier Digital LibraryMindat Newsletter [Free Download]
主页关于 MindatMindat手册Mindat的历史版权Who We Are联系我们于 Mindat.org刊登广告
捐赠给 MindatCorporate Sponsorship赞助板页已赞助的板页在 Mindat刊登 广告的广告商于 Mindat.org刊登广告
Learning CenterWhat is a mineral?The most common minerals on earthInformation for EducatorsMindat ArticlesThe ElementsThe Rock H. Currier Digital LibraryGeologic Time
搜索矿物的性质搜索矿物的化学Mineral Visual ExplorerAdvanced Locality Search随意显示任何一 种矿物Random Locality使用minID搜索邻近产地Search Articles搜索词汇表更多搜索选项
搜索:
矿物名称:
地区产地名称:
关键字:
 
Mindat手册添加新照片Rate Photos产区编辑报告Coordinate Completion Report添加词汇表项目
Mining Companies统计会员列表Mineral MuseumsClubs & Organizations矿物展及活动The Mindat目录表设备设置The Mineral QuizTime Machine
照片搜索Photo GalleriesSearch by ColorPhoto Colour Explorer今天最新的照片昨天最新的照片用户照片相集过去每日精选照片相集Photography

Hajdu, Bálint, Czakó, Gábor (2018) Benchmark ab Initio Characterization of the Complex Potential Energy Surfaces of the X– + NH2Y [X, Y = F, Cl, Br, I] Reactions. The Journal of Physical Chemistry A, 122 (7). 1886-1895 doi:10.1021/acs.jpca.7b11927

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleBenchmark ab Initio Characterization of the Complex Potential Energy Surfaces of the X– + NH2Y [X, Y = F, Cl, Br, I] Reactions
JournalThe Journal of Physical Chemistry A
AuthorsHajdu, BálintAuthor
Czakó, GáborAuthor
Year2018 (February 22)Volume122
Issue7
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jpca.7b11927Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID3969445Long-form Identifiermindat:1:5:3969445:0
GUID0
Full ReferenceHajdu, Bálint, Czakó, Gábor (2018) Benchmark ab Initio Characterization of the Complex Potential Energy Surfaces of the X– + NH2Y [X, Y = F, Cl, Br, I] Reactions. The Journal of Physical Chemistry A, 122 (7). 1886-1895 doi:10.1021/acs.jpca.7b11927
Plain TextHajdu, Bálint, Czakó, Gábor (2018) Benchmark ab Initio Characterization of the Complex Potential Energy Surfaces of the X– + NH2Y [X, Y = F, Cl, Br, I] Reactions. The Journal of Physical Chemistry A, 122 (7). 1886-1895 doi:10.1021/acs.jpca.7b11927
In(2018, February) The Journal of Physical Chemistry A Vol. 122 (7) American Chemical Society (ACS)

See Also

These are possibly similar items as determined by title/reference text matching only.

Tasi, Domonkos A., Czakó, Gábor (2024) Benchmark ab initio characterization of the complex potential energy surfaces of the HOO− + CH3Y [Y = F, Cl, Br, I] reactions. Physical Chemistry Chemical Physics, 26 (22). doi:10.1039/d4cp01071j
Tasi, Domonkos A., Fábián, Zita, Czakó, Gábor (2018) Benchmark ab Initio Characterization of the Inversion and Retention Pathways of the OH– + CH3Y [Y = F, Cl, Br, I] SN2 Reactions. The Journal of Physical Chemistry A, 122 (26). 5773-5780 doi:10.1021/acs.jpca.8b04218
Ballay, Boldizsár, Szűcs, Tímea, Papp, Dóra, Czakó, Gábor (2023) Phosphorus-centered ion–molecule reactions: benchmark ab initio characterization of the potential energy surfaces of the X− + PH2Y [X, Y = F, Cl, Br, I] systems. Physical Chemistry Chemical Physics, 25 (42) 28925-28940 doi:10.1039/d3cp03733a
Papp, Dóra, Gruber, Balázs, Czakó, Gábor (2019) Detailed benchmark ab initio mapping of the potential energy surfaces of the X + C2H6 [X = F, Cl, Br, I] reactions. Physical Chemistry Chemical Physics, 21 (1). 396-408 doi:10.1039/c8cp06445h
Tasi, Domonkos A., Tokaji, Csenge, Czakó, Gábor (2021) A benchmark ab initio study of the complex potential energy surfaces of the OH− + CH3CH2Y [Y = F, Cl, Br, I] reactions. Physical Chemistry Chemical Physics, 23 (24) 13526-13534 doi:10.1039/d1cp01303c
Gál, Dorina R., Papp, Dóra, Czakó, Gábor (2024) Benchmark ab initio characterization of the multi-channel Cl + CH3X [X = F, Cl, Br, I] reactive potential energy surfaces. Physical Chemistry Chemical Physics, 26 (25) 17695-17706 doi:10.1039/d4cp01578a
Szabó, István, Czakó, Gábor (2017) Benchmark ab Initio Characterization of the Complex Potential Energy Surface of the Cl– + CH3I Reaction. The Journal of Physical Chemistry A, 121 (30). 5748-5757 doi:10.1021/acs.jpca.7b05503
Tajti, Viktor, Czakó, Gábor (2017) Benchmark ab Initio Characterization of the Complex Potential Energy Surface of the F– + CH3CH2Cl Reaction. The Journal of Physical Chemistry A, 121 (14). 2847-2854 doi:10.1021/acs.jpca.7b01572
Kerekes, Zsolt, Tasi, Domonkos A., Czakó, Gábor (2022) SN2 Reactions with an Ambident Nucleophile: A Benchmark Ab Initio Study of the CN– + CH3Y [Y = F, Cl, Br, and I] Systems. The Journal of Physical Chemistry A, 126 (6) 889-900 doi:10.1021/acs.jpca.1c10448
Szabó, István, Czakó, Gábor (2015) Double-Inversion Mechanisms of the X– + CH3Y [X,Y = F, Cl, Br, I] SN2 Reactions. The Journal of Physical Chemistry A, 119 (12). 3134-3140 doi:10.1021/acs.jpca.5b00988
Czakó, Gábor, Bowman, Joel M. (2014) Reaction Dynamics of Methane with F, O, Cl, and Br on ab Initio Potential Energy Surfaces. The Journal of Physical Chemistry A, 118 (16). 2839-2864 doi:10.1021/jp500085h
 
and/or  
版权所有© mindat.org1993年至2026年，除了规定的地方。 Mindat.org全赖于全球数千个以上成员和支持者们的参与。
To cite: Ralph, J., Von Bargen, D., Martynov, P., Zhang, J., Que, X., Prabhu, A., Morrison, S. M., Li, W., Chen, W., & Ma, X. (2025). Mindat.org: The open access mineralogy database to accelerate data-intensive geoscience research. American Mineralogist, 110(6), 833–844. doi:10.2138/am-2024-9486.
隐私政策 - 条款和条款细则 - 联络我们 - Report a bug/vulnerability Current server date and time: 2026.6.7 00:54:58
Go to top of page