Výsledky vyhledávání - "electron configuration"

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Benchmark computations of nearly degenerate singlet and triplet states of N-heterocyclic chromophores. I. Wavefunction-based methods.

Autor: Chanda, Shamik¹ (AUTHOR), Sen, Sangita¹ (AUTHOR) sangita.sen@iiserkol.ac.in

Publikováno v: Journal of Chemical Physics. 11/7/2024, Vol. 161 Issue 17, p1-15. 15p.

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Observation of halogen-like behavior of gold in fluorinated bimetallic CoAuF1-2⁻ and CuAuF1-2⁻ clusters: Anion photoelectron spectroscopy and density functional theory.

Autor: Long, Zhen-Chao^1,2 (AUTHOR), Shah, Aaron³ (AUTHOR), Banjade, Huta³ (AUTHOR), Liu, Kai-Wen^1,2 (AUTHOR), Xu, Hong-Guang^1,2 (AUTHOR), Zheng, Weijun^1,2 (AUTHOR) zhengwj@iccas.ac.cn, Jena, Puru³ (AUTHOR)

Publikováno v: Journal of Chemical Physics. 9/28/2024, Vol. 161 Issue 12, p1-9. 9p.

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Materials Containing Single‐, Di‐, Tri‐, and Multi‐Metal Atoms Bonded to C, N, S, P, B, and O Species as Advanced Catalysts for Energy, Sensor, and Biomedical Applications.

Autor: Tiwari, Jitendra N.¹ (AUTHOR) jnt_tiw123@yahoo.co.in, Kumar, Krishan² (AUTHOR), Safarkhani, Moein^3,4 (AUTHOR), Umer, Muhammad⁵ (AUTHOR), Vilian, A. T. Ezhil¹ (AUTHOR), Beloqui, Ana^2,6 (AUTHOR), Bhaskaran, Gokul³ (AUTHOR), Huh, Yun Suk³ (AUTHOR) yunsuk.huh@inha.ac.kr, Han, Young‐Kyu¹ (AUTHOR) ykenergy@dongguk.edu

Publikováno v: Advanced Science. 9/4/2024, Vol. 11 Issue 33, p1-65. 65p.

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Akademický článek

Formation of metallic/oxide composites of Sn from SnO2 thin films with swift heavy ion irradiation.

Autor: Gome, Anil¹ (AUTHOR) anugome@gmail.com, Singh, Fouran² (AUTHOR), Ganesan, V.¹ (AUTHOR), Yadav, Anand¹ (AUTHOR), Raghavendra Reddy, V.³ (AUTHOR)

Publikováno v: Journal of Applied Physics. 8/28/2024, Vol. 136 Issue 8, p1-9. 9p.

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Akademický článek

Ab initio extended Hubbard model of short polyenes for efficient quantum computing.

Autor: Yoshida, Yuichiro¹ (AUTHOR) yoshida.yuichiro.qiqb@osaka-u.ac.jp, Takemori, Nayuta^1,2 (AUTHOR), Mizukami, Wataru^1,3 (AUTHOR)

Publikováno v: Journal of Chemical Physics. 8/28/2024, Vol. 161 Issue 8, p1-15. 15p.

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Akademický článek

Wigner molecular crystals from multielectron moiré artificial atoms.

Autor: Hongyuan Li^1,2,3 hongyuan_li@berkeley.edu, Ziyu Xiang^1,2,3, Reddy, Aidan P.⁴, Devakul, Trithep⁴, Sailus, Renee⁵, Banerjee, Rounak⁵, Takashi Taniguchi⁶, Kenji Watanabe⁷, Tongay, Sefaattin⁵, Zettl, Alex^1,3,8, Liang Fu⁴ liangfu@mit.edu, Crommie, Michael F.^1,3,8 crommie@berkeley.edu, Feng Wang^1,3,8 fengwang76@berkeley.edu

Publikováno v: Science. 7/5/2024, Vol. 385 Issue 6704, p86-91. 6p. 4 Diagrams.

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Synthesis, X-ray Structure, Cytotoxic, and Anti-Microbial Activities of Zn(II) Complexes with a Hydrazono s -Triazine Bearing Pyridyl Arm.

Autor: Hassan, MennaAllah¹ (AUTHOR) mennaallahhassanelsayed@gmail.com, El-Faham, Ayman¹ (AUTHOR) aymanel_faham@hotmail.com, Barakat, Assem² (AUTHOR) ambarakat@ksu.edu.sa, Haukka, Matti³ (AUTHOR) matti.o.haukka@jyu.fi, Tatikonda, Rajendhraprasad³ (AUTHOR) rp.tatikonda@jyu.fi, Abu-Youssef, Morsy A. M.¹ (AUTHOR) morsy5@alexu.edu.eg, Soliman, Saied M.¹ (AUTHOR) saied1soliman@yahoo.com, Yousri, Amal¹ (AUTHOR) saied1soliman@yahoo.com

Publikováno v: Inorganics. Jul2024, Vol. 12 Issue 7, p176. 18p.

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Optically detected magnetic resonance study of thermal effects due to absorbing environment around nitrogen-vacancy-nanodiamond powders.

Autor: Jani, Mona^1,2,3 (AUTHOR) mona.jani@lu.lv, Orzechowska, Zuzanna¹ (AUTHOR), Mrózek, Mariusz¹ (AUTHOR), Mitura-Nowak, Marzena^3,4 (AUTHOR), Gawlik, Wojciech¹ (AUTHOR), Wojciechowski, Adam M.¹ (AUTHOR) a.wojciechowski@uj.edu.pl

Publikováno v: Journal of Applied Physics. 5/28/2024, Vol. 135 Issue 20, p1-10. 10p.

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Quantifying spin contamination in algebraic diagrammatic construction theory of electronic excitations.

Autor: Stahl, Terrence L.¹ (AUTHOR), Sokolov, Alexander Yu.¹ (AUTHOR) sokolov.8@osu.edu

Publikováno v: Journal of Chemical Physics. 5/28/2024, Vol. 160 Issue 20, p1-16. 16p.

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Akademický článek

SECOND-ORDER RAYLEIGH–SCHRÖDINGER PERTURBATION THEORY FOR THE GRASP2018 PACKAGE: CORE CORRELATIONS.

Autor: Gaigalas, G.¹ gediminas.gaigalas@tfai.vu.lt, Rynkun, P.¹ pavel.rynkun@tfai.vu.lt, Kitovienė, L.¹ laima.radziute@tfai.vu.lt

Publikováno v: Lithuanian Journal of Physics. 2024, Vol. 64 Issue 2, p73-81. 9p.

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