Quantum Chemistry Topic Alert

Read the latest articles in Quantum Chemistry View in Browser AIP Publishing Topic Alert December 2022 Quantum Chemistry MY SETTINGS > Surface reaction modelling of thermal atomic layer etching on blanket hafnium oxide and its application on high aspect ratio structures  Andreas Fischer, David Mui, Aaron Routzahn, Ryan Gasvoda, Jim Sims, and Thorsten Lill Journal of Vacuum Science & Technology A 41, 012601 (2023) Read the article → Effect of different passivating ligands on the electronic structures of PbS quantum dots  Sakshi Chaudhary, Kh. S. Singh, and Shyam Kishor AIP Conference Proceedings 2597, 070004 (2022) Read the article → Wealth distribution for agents with spending propensity, interacting over a network  Víctor Muñoz Chaos 32, 123144 (2022) Read the article → Deep coarse-grained potentials via relative entropy minimization    Stephan Thaler, Maximilian Stupp, and Julija Zavadlav J. Chem. Phys. 157, 244103 (2022) Read the article → Photoionization and core resonances from range-separated time-dependent density-functional theory for open-shell states: Example of the lithium atom  Julien Toulouse, Karno Schwinn, Felipe Zapata, Antoine Levitt, Éric Cancès, and Eleonora Luppi J. Chem. Phys. 157, 244104 (2022) Read the article → High order relativistic corrections on the electric field gradient within the LRESC formalism  Juan J. Aucar, Alejandro F. Maldonado, and Juan I. Melo J. Chem. Phys. 157, 244105 (2022) Read the article → Quantum-chemical calculation of two-dimensional infrared spectra using localized-mode VSCF/VCI    Julia Brüggemann, Mario Wolter, and Christoph R. Jacob J. Chem. Phys. 157, 244107 (2022) Read the article → Real-time electronic energy current and quantum energy flux in molecules    Kazuo Takatsuka, and Yasuki Arasaki J. Chem. Phys. 157, 244108 (2022) Read the article → Analytical gradients and derivative couplings for the TDDFT-1D method  Vishikh Athavale, Hung-Hsuan Teh, Yihan Shao, and Joseph Subotnik J. Chem. Phys. 157, 244110 (2022) Read the article → The effect of immediate environment on bond strength of different bond types—A valence bond study  Mukesh Chourasia, Todd Cowen, Aviva Friedman-Ezra, Eden Rubanovich, and Avital Shurki J. Chem. Phys. 157, 244301 (2022) Read the article → The changeable coordination of structural and bonding characteristics in amorphous Cu2Te from ab initio molecular dynamics simulations  Jie Gao, Xiaoyu Huang, Chong Qiao, and Yu Jia Journal of Applied Physics 132, 244302 (2022) Read the article → Anomalous stability of non-van der Waals bonded B4C nanosheets through surface reconstruction    A. Gupta, T. Biswas, and A. K. Singh Journal of Applied Physics 132, 244304 (2022) Read the article → Diffusion theory of molecular liquids in the energy representation and application to solvation dynamics    Kazuya Okita, Kento Kasahara, and Nobuyuki Matubayasi J. Chem. Phys. 157, 244505 (2022) Read the article → Impact of random alloy fluctuations on the electronic and optical properties of (Al,Ga)N quantum wells: Insights from tight-binding calculations    Robert Finn, and Stefan Schulz J. Chem. Phys. 157, 244705 (2022) Read the article → 4H-SiC Ohmic contacts formation by MoS2 layer intercalation: A first-principles study  Lingqin Huang, Sumin Pan, Xuliang Deng, and Wenwen Cui Journal of Applied Physics 132, 245702 (2022) Read the article → Role of morphology in defect formation and photo-induced carrier instabilities in amorphous indium oxide  Julia E. Medvedeva Appl. Phys. Lett. 121, 261902 (2022) Read the article → Voltage control of magnetic properties in GdxFe100-x films by hydrogen migration    Yuzhi Xing, Ruofei Xing, Xiaonan Zhao, Zhenfa Wu, Dong Wang, Houning Song, Chen Qi, Lin Wei, Shishen Yan, Yufeng Tian, Lihui Bai, and Yanxue Chen Appl. Phys. Lett. 121, 262403 (2022) Read the article → Pressure-induced negative capacitance and enhanced grain boundary conductivity in nanocrystalline solid electrolyte BaZrO3    Susu Duan, Qinglin Wang, Boyu Zou, Jialiang Jiang, Kai Liu, Guozhao Zhang, Haiwa Zhang, Dandan Sang, Zhenzhen Xu, Yanlei Geng, Jianfu Li, Xiaoli Wang, Yinwei Li, and Cailong Liu Appl. Phys. Lett. 121, 263904 (2022) Read the article → More Articles Related to this Topic→ Follow us on social media Copyright © 2023 AIP Publishing. All rights reserved. 1305 Walt Whitman Rd., Melville, NY 11747 This email has been sent to znamenski.someunknown@blogger.com You are receiving this because you opted in to receive free content alerts from Scitation. Please do not reply to this email, this email address is not monitored. To change the alerts you are subscribed to, please amend your settings. If you no longer wish to receive emails from us then please unsubscribe. For technical assistance with this service, please contact help@scitation.org. To reserve ad space or request further information on e-mail sponsorships, please email adinfo@aip.org or visit scitation.org/advertising.