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

Karbalaei Khani, Sarah, Marefat Khah, Alireza, Hättig, Christof (2018) COSMO-RI-ADC(2) excitation energies and excited state gradients. Physical Chemistry Chemical Physics, 20 (24). 16354-16363 doi:10.1039/c8cp00643a

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleCOSMO-RI-ADC(2) excitation energies and excited state gradients
JournalPhysical Chemistry Chemical Physics
AuthorsKarbalaei Khani, SarahAuthor
Marefat Khah, AlirezaAuthor
Hättig, ChristofAuthor
Year2018Volume20
Issue24
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/c8cp00643aSearch in ResearchGate
Generate Citation Formats
Mindat Ref. ID4033742Long-form Identifiermindat:1:5:4033742:7
GUID0
Full ReferenceKarbalaei Khani, Sarah, Marefat Khah, Alireza, Hättig, Christof (2018) COSMO-RI-ADC(2) excitation energies and excited state gradients. Physical Chemistry Chemical Physics, 20 (24). 16354-16363 doi:10.1039/c8cp00643a
Plain TextKarbalaei Khani, Sarah, Marefat Khah, Alireza, Hättig, Christof (2018) COSMO-RI-ADC(2) excitation energies and excited state gradients. Physical Chemistry Chemical Physics, 20 (24). 16354-16363 doi:10.1039/c8cp00643a
In(2018) Physical Chemistry Chemical Physics Vol. 20 (24) Royal Society of Chemistry (RSC)

See Also

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

Marefat Khah, Alireza, Grimmelsmann, Lena, Knorr, Johannes, Nuernberger, Patrick, Hättig, Christof (2018) How a linear triazene photoisomerizes in a volume-conserving fashion. Physical Chemistry Chemical Physics, 20 (44). 28075-28087 doi:10.1039/c8cp05208e
Karbalaei Khani, Sarah, Geissler, Bastian, Engelage, Elric, Nuernberger, Patrick, Hättig, Christof (2021) Tracing absorption and emission characteristics of halogen-bonded ion pairs involving halogenated imidazolium species. Physical Chemistry Chemical Physics, 23 (12) 7480-7494 doi:10.1039/d1cp00009h
Grimmelsmann, Lena, Marefat Khah, Alireza, Spies, Christian, Hättig, Christof, Nuernberger, Patrick (2017) Ultrafast Dynamics of a Triazene: Excited-State Pathways and the Impact of Binding to the Minor Groove of DNA and Further Biomolecular Systems. The Journal of Physical Chemistry Letters, 8 (9). 1986-1992 doi:10.1021/acs.jpclett.7b00472
Hättig, Christof, Hald, Kasper (2002) Implementation of RI-CC2 triplet excitation energies with an application to trans-azobenzene. Physical Chemistry Chemical Physics, 4 (11). 2111-2118 doi:10.1039/b110847f
Tew, David P., Hättig, Christof, Graf, Nora K. (2019) Anharmonic excited state frequencies of para-difluorobenzene, toluene and catechol using analytic RI-CC2 second derivatives. Physical Chemistry Chemical Physics, 21 (26). 14063-14072 doi:10.1039/c8cp06952b
Balasubramani, Sree Ganesh, Chen, Guo P., Coriani, Sonia, Diedenhofen, Michael, Frank, Marius S., Franzke, Yannick J., Furche, Filipp, Grotjahn, Robin, Harding, Michael E., Hättig, Christof, Hellweg, Arnim, Helmich-Paris, Benjamin, Holzer, Christof, Huniar, Uwe, Kaupp, Martin, Marefat Khah, Alireza, Karbalaei Khani, Sarah, Müller, Thomas, Mack, Fabian, Nguyen, Brian D., Parker, Shane M., Perlt, Eva, Rappoport, Dmitrij, Reiter, Kevin, Roy, Saswata, Rückert, Matthias, Schmitz, Gunnar, Sierka, Marek, Tapavicza, Enrico, Tew, David P., van Wüllen, Christoph, Voora, Vamsee K., Weigend, Florian, Wodyński, Artur, Yu, Jason M. (2020) TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations. The Journal of Chemical Physics, 152 (18) 184107pp. doi:10.1063/5.0004635
Hättig, Christof; Pausch, Ansgar (2025) Gradients of Ground and Excited States for CC2 and ADC(2) in Polarizable Continuum and Atomistic Embeddings within a Generalized PTED Coupling Scheme. The Journal of Physical Chemistry A, 129 (27). doi:10.1021/acs.jpca.5c02873
Hellweg, Arnim, Grün, Sarah A., Hättig, Christof (2008) Benchmarking the performance of spin-component scaled CC2 in ground and electronically excited states. Physical Chemistry Chemical Physics, 10 (28). 4119pp. doi:10.1039/b803727b
Aquino, Adelia J. A., Lischka, Hans, Hättig, Christof (2005) Excited-State Intramolecular Proton Transfer:  A Survey of TDDFT and RI-CC2 Excited-State Potential Energy Surfaces. The Journal of Physical Chemistry A, 109 (14). 3201-3208 doi:10.1021/jp050288k
Hättig, Christof, Hellweg, Arnim, Köhn, Andreas (2006) Distributed memory parallel implementation of energies and gradients for second-order Møller–Plesset perturbation theory with the resolution-of-the-identity approximation. Physical Chemistry Chemical Physics, 8 (10). 1159pp. doi:10.1039/b515355g
Froitzheim, Thomas; Hättig, Christof; Mewes, Jan-Michael (2025) Mind the gaps: what the STGABS27 set can teach about second-order excited state methods, solvent models, and charge transfer. Physical Chemistry Chemical Physics, 27 (36). doi:10.1039/d5cp02144h
 
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: 2026.6.6 04:16:11
Go to top of page