Quantum Chemistry Topic Alert

Read the latest articles in Quantum Chemistry View in Browser AIP Publishing Topic Alert October 2022 Quantum Chemistry My Settings Vibration fatigue analysis of spur gear drive under random loading  Saumen Dutta, Abhijeet Tambare, D. Sri Harshith, Hariharan Elangovan, and Ramesh Babu Vemuluri AIP Conference Proceedings 2545, 020004 (2022) Read the article → In silico analysis of flavonol compound against Mpro COVID-19  Veliyana Londong Allo, Gabby Encha Farhanah, and Rahmat Gunawan AIP Conference Proceedings 2668, 030005 (2022) Read the article → Universal rapid Joule carbothermal synthesis of flexible carbon/metal oxide lithiophilic membranes for high-performance lithium metal batteries    Yisha Wang, Kui Xu, Qiao Zhang, Longwei Ke, Yiming Dai, Yan Yan, Kun Rui, Huijuan Lin, and Jixin Zhu Applied Physics Reviews 9, 041402 (2022) Read the article → Simulation of a laser-driven three-level system by a noisy quantum computer    Takanori Nishi, Erik Lötstedt, and Kaoru Yamanouchi AVS Quantum Sci. 4, 043801 (2022) Read the article → Modification of a force field for molecular dynamics simulations of silicon etching by chlorine atoms    Joseph R. Vella, and David B. Graves Journal of Vacuum Science & Technology A 40, 063203 (2022) Read the article → Numerical investigation of micro-droplets mixing in electrowetting-on-dielectric digital microfluidics: The merging process and frequency response  Yaming Wei, Jianfeng Zou, Chenglin Zhou, Feng Li, and Ziting Zhao Physics of Fluids 34, 102009 (2022) Read the article → Relativistic gas: Lorentz-invariant distribution for the velocities  Evaldo M. F. Curado, Carlos E. Cedeño, Ivano Damião Soares, and Constantino Tsallis Chaos 32, 103110 (2022) Read the article → Stability and formation process of hydrogen-bonded organic porous thin films: A molecular dynamics study    K. Matsui, H. Watanabe, and T. K. Shimizu AIP Advances 12, 105109 (2022) Read the article → Effect of surface modifier and solvent on the affinity between the surface-modified solid and organic solvent: A molecular dynamics study      Takamasa Saito, Ryo Takebayashi, Masaki Kubo, Takao Tsukada, Eita Shoji, Gota Kikugawa, and Donatas Surblys AIP Advances 12, 105206 (2022) Read the article → A modified Cercignani–Lampis model with independent momentum and thermal accommodation coefficients for gas molecules scattering on surfaces  Junchao Deng, Jun Zhang, Tengfei Liang, Jin Zhao, Zhihui Li, and Dongsheng Wen Physics of Fluids 34, 107108 (2022) Read the article → Anisotropic magnetoresistance in Mn4−xNixN and the change in the crystalline field  Taro Komori, Haruka Mitarai, Tomohiro Yasuda, Sambit Ghosh, Laurent Vila, Jean-Philippe Attané, Syuta Honda, and Takashi Suemasu Journal of Applied Physics 132, 143902 (2022) Read the article → Broken-symmetry self-consistent GW approach: Degree of spin contamination and evaluation of effective exchange couplings in solid antiferromagnets    Pavel Pokhilko, and Dominika Zgid J. Chem. Phys. 157, 144101 (2022) Read the article → A random batch Ewald method for charged particles in the isothermal–isobaric ensemble  Jiuyang Liang, Pan Tan, Liang Hong, Shi Jin, Zhenli Xu, and Lei Li J. Chem. Phys. 157, 144102 (2022) Read the article → Prediction uncertainty validation for computational chemists    Pascal Pernot J. Chem. Phys. 157, 144103 (2022) Read the article → Vibrational levels of a generalized Morse potential    Saad Qadeer, Garrett D. Santis, Panos Stinis, and Sotiris S. Xantheas J. Chem. Phys. 157, 144104 (2022) Read the article → Laser-induced dynamic alignment of the HD molecule without the Born–Oppenheimer approximation  L. Adamowicz, S. Kvaal, C. Lasser, and T. B. Pedersen J. Chem. Phys. 157, 144302 (2022) Read the article → Probing intra- and inter-molecular interactions through rotational spectroscopy: The case of the odorant 2′-aminoacetophenone and its 1:1 water and neon complexes  G. Salvitti, S. Blanco, J. C. Lòpez, S. Melandri, L. Evangelisti, and A. Maris J. Chem. Phys. 157, 144303 (2022) Read the article → Real-time time-dependent DFT study of laser-enhanced atomic layer etching of silicon for damage-free nanostructure fabrication  Peizhi Wang, and Fengzhou Fang Journal of Applied Physics 132, 144303 (2022) Read the article → The effects of polarization on the rotational diffusion of ions in organic ionic plastic crystals  Seowoo Park, Hyungshick Park, Chung Bin Park, and Bong June Sung J. Chem. Phys. 157, 144501 (2022) Read the article → Effect of temperature on CO oxidation over Pt(111) in two-dimensional confinement  Nidhi Tiwari, Seenivasan Hariharan, and Ashwani K. Tiwari J. Chem. Phys. 157, 144701 (2022) Read the article → Hydrogen separation with a graphenylene monolayer: Diffusion Monte Carlo study  Gwangyoung Lee, Iuegyun Hong, Jeonghwan Ahn, Hyeondeok Shin, Anouar Benali, and Yongkyung Kwon J. Chem. Phys. 157, 144703 (2022) Read the article → A review on nature-inspired gating membranes: From concept to design and applications  Hanieh Bazyar, Othonas A. Moultos, and Rob G. H. Lammertink J. Chem. Phys. 157, 144704 (2022) Read the article → 2H-MoS2 nanosheets-based binder-free electrode material for supercapacitor  Salamat Ali, Xiaofeng Zhang, Muhammad Sufyan Javed, Xiaqing Zhang, Guo Liu, Xuegang Wei, Hao Chen, Muhammad Imran, Jiatai Wang, Weihua Han, and Jing Qi Journal of Applied Physics 132, 145001 (2022) Read the article → Schottky–Mott limit in graphene inserted 2D semiconductor–metal interfaces  Sanchali Mitra, and Santanu Mahapatra Journal of Applied Physics 132, 145301 (2022) Read the article → Tunable, strain-controlled nanoporous phosphorene membrane for highly efficient and selective H2/CH4 and H2/CO2 sieving: A combined molecular dynamics simulation and density functional theory study  Mengru Duan, Shuming Zeng, and Zonglin Gu Journal of Applied Physics 132, 145303 (2022) Read the article → Publisher's Note: "Modeling stepped Pt/water interfaces at potential of zero charge with ab initio molecular dynamics" [J. Chem. Phys. 157, 094702 (2022)]  Ao Chen, Jia-Bo Le, Yongbo Kuang, and Jun Cheng J. Chem. Phys. 157, 149901 (2022) Read the article → Tunable magnetic anisotropy in SrMnO3/SrRuO3 bilayers studied by angle and temperature dependence of magneto-transport  P. Zhang, A. Das, J. J. L. van Rijn, A. J. Watson, and T. Banerjee Appl. Phys. Lett. 121, 152401 (2022) Read the article → Characterization of hole traps in reverse-biased Schottky-type p-GaN gate HEMTs by current-transient method  Shijie Pan, Shiwei Feng, Xuan Li, Kun Bai, Xiaozhuang Lu, Yanjie Li, Yamin Zhang, Lixing Zhou, and Meng Zhang Appl. Phys. Lett. 121, 153501 (2022) Read the article → Water-tolerant solid polymer electrolyte with high ion-conductivity for simplified battery manufacturing in air surroundings  Jie Liu, Lifang Zhang, Yufeng Cao, Zhenkang Wang, Xinyao Xia, Jinqiu Zhou, Xiaowei Shen, Xi Zhou, Tao Qian, and Chenglin Yan Appl. Phys. Lett. 121, 153905 (2022) Read the article → More Articles Related to this Topic→ Follow us on social media! Copyright © 2022 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.