Zobrazeno 1 - 10 of 55 741 pro vyhledávání: '"Orbitals"'
1
Akademický článek
Structural and bonding properties of Ta2Cn−/0 (n = 1–7) clusters: Size-selected anion photoelectron spectroscopy and theoretical calculations.
Autor: Zhang, Chao-Jiang1,2 (AUTHOR), Xu, Hong-Guang1,2 (AUTHOR) xlxu@iccas.ac.cn, Xu, Xi-Ling1,2 (AUTHOR) zhengwj@iccas.ac.cn, Zheng, Wei-Jun1,2 (AUTHOR)
Publikováno v: Journal of Chemical Physics. 11/21/2024, Vol. 161 Issue 19, p1-12. 12p.
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2
Akademický článek
Impact of chlorine substitution on valence orbitals and ionization dynamics in 3-chloropyridine: Insights from high-resolution vacuum ultraviolet mass-analyzed threshold ionization study.
Autor: Park, Sung Man1 (AUTHOR), Kim, Hyojung1 (AUTHOR), Kwon, Chan Ho1 (AUTHOR) chkwon@kangwon.ac.kr
Publikováno v: Journal of Chemical Physics. 11/7/2024, Vol. 161 Issue 17, p1-11. 11p.
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3
Akademický článek
Design and synthesis of thiahelicenes for molecular electronics.
Autor: Baciu, Bianca C.1, Bronk, Pawel J.1, Guijarro, Albert1 aguijarro@ua.es, Wang, Zixin2, Schneebeli, Severin Thomas3
Publikováno v: Frontiers in Chemistry. 2024, p1-39. 50p.
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4
Akademický článek
Accurate molecular recognition from the lowest unoccupied molecular orbital.
Autor: Zhou, Xuehua1 (AUTHOR) zhouxuehua_246420@163.com, Yang, Shingxing1 (AUTHOR), Han, Chao2,3 (AUTHOR) 1035662957@qq.com
Publikováno v: Scientific Reports. 10/30/2024, Vol. 14 Issue 1, p1-10. 10p.
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5
Akademický článek
Molecular Engineering of a Tumor‐Targeting Thione‐Derived Diketopyrrolopyrrole Photosensitizer to Attain NIR Excitation Over 850 nm for Efficient Dual Phototherapy.
Autor: Xu, Gang1 (AUTHOR), Song, Yunxia1 (AUTHOR), Jin, Haifeng1 (AUTHOR), Shi, Pengmin1 (AUTHOR), Jiao, Yubo1 (AUTHOR), Cao, Fangzhou1 (AUTHOR), Pang, Jie2 (AUTHOR), Sun, Yanyan3 (AUTHOR), Fang, Lei1 (AUTHOR) lei.fang@seu.edu.cn, Xia, Xing‐Hua2 (AUTHOR) xhxia@nju.edu.cn, Zhao, Jian1 (AUTHOR) 101012009@seu.edu.cn
Publikováno v: Advanced Science. 12/4/2024, Vol. 11 Issue 45, p1-13. 13p.
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6
Akademický článek
Unveiling the dual-state emissive behaviour of 4,6-diarylpyrimidin-2-amines through a plug-and-play approach.
Autor: Nair, Ajil R.1 (AUTHOR), Mohan, M. Gayathri2 (AUTHOR), Raksha, C.1 (AUTHOR), Sreekumar, Anjana1 (AUTHOR), Manoj, P.2 (AUTHOR), Kumar, Y.C. Sunil3 (AUTHOR), Sivan, Akhil1 (AUTHOR) akhilsivan@am.amrita.edu
Publikováno v: Scientific Reports. 11/30/2024, Vol. 14 Issue 1, p1-14. 14p.
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7
Akademický článek
Time-dependent ab initio molecular-orbital decomposition for high-harmonic generation spectroscopy.
Autor: Marchetta, Marco1 (AUTHOR), Morassut, Chiara1,2 (AUTHOR), Toulouse, Julien2,3 (AUTHOR), Coccia, Emanuele1 (AUTHOR) ecoccia@units.it, Luppi, Eleonora2 (AUTHOR) eleonora.luppi@sorbonne-universite.fr
Publikováno v: Journal of Chemical Physics. 11/28/2024, Vol. 161 Issue 20, p1-14. 14p.
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8
Akademický článek
Encapsulation-induced hypsochromic shift of emission properties from a cationic Ir(III) complex in a hydrogen-bonded organic cage: A theoretical study.
Autor: Uratani, Hiroki1,2 (AUTHOR) uratani@moleng.kyoto-u.ac.jp, Horiuchi, Shinnosuke3 (AUTHOR) shoriuchi@g.ecc.u-tokyo.ac.jp
Publikováno v: Journal of Chemical Physics. 11/28/2024, Vol. 161 Issue 20, p1-7. 7p.
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9
Akademický článek
Synthesis and characterization of fluorenone derivatives with electrical properties explored using density functional theory (DFT).
Autor: Farooq, Muhammad Umar1 (AUTHOR), Muneer, Malaika2 (AUTHOR), Shahid, Ali3 (AUTHOR), Rehman, Muhammad Abdul3 (AUTHOR), Ullah, Khalil4 (AUTHOR), Murtaza, Ghulam5,6 (AUTHOR) murtazabotanist@gmail.com, Iqbal, Rashid7,8 (AUTHOR) rashid.iqbal@iub.edu.pk, Iqbal, Javed9 (AUTHOR), Rahimi, Mehdi10 (AUTHOR) mehdi83ra@yahoo.com
Publikováno v: Scientific Reports. 11/22/2024, Vol. 14 Issue 1, p1-21. 21p.
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