Quantum Chemistry Topic Alert

Read the latest articles in Quantum Chemistry View in Browser | Forward to a Friend AIP Publishing Topic Alert October 2021 Quantum Chemistry My Settings Phase diagram for nanodroplet impact on solid surfaces    Qiang Ma, Yi-Feng Wang, Yi-Bo Wang, Xin He, Shao-Fei Zheng, Yan-Ru Yang, Xiao-Dong Wang, and Duu-Jong Lee Physics of Fluids 33, 102007 (2021) Read the article → Transport of fast electron beam in mirror-field magnetized solid-density plasma  Y. Cao, X. H. Yang, T. P. Yu, Y. Y. Ma, M. Y. Yu, L. X. Hu, G. B. Zhang, H. Xu, and Y. Lang Physics of Plasmas 28, 102701 (2021) Read the article → Social distancing slows down steady dynamics in pedestrian flows      Kelby B. Kramer, and Gerald J. Wang Physics of Fluids 33, 103318 (2021) Read the article → Evolution of unsupported shocks in a two-dimensional Yukawa solid  Tianyue Sun, Michael S. Murillo, and Yan Feng Physics of Plasmas 28, 103703 (2021) Read the article → Accurate prediction of mutation-induced frequency shifts in chlorophyll proteins with a simple electrostatic model  Amit Srivastava, Safa Ahad, Jacob H. Wat, and Mike Reppert J. Chem. Phys. 155, 151102 (2021) Read the article → Theoretical considerations of superconducting HfBH2 and HfB2H under high pressure  Yaping Zhao, Xiaohua Zhang, Yong Liu, and Guochun Yang Journal of Applied Physics 130, 153904 (2021) Read the article → Toward Laplace MP2 method using range separated Coulomb potential and orbital selective virtuals  Ondřej Demel, Michael J. Lecours, Richard Habrovský, and Marcel Nooijen J. Chem. Phys. 155, 154104 (2021) Read the article → On the inclusion of one double within CIS and TDDFT  Vishikh Athavale, Hung-Hsuan Teh, and Joseph E. Subotnik J. Chem. Phys. 155, 154105 (2021) Read the article → Exploring human-guided strategies for reaction network exploration: Interactive molecular dynamics in virtual reality as a tool for citizen scientists  Robin J. Shannon, Helen M. Deeks, Eleanor Burfoot, Edward Clark, Alex J. Jones, Adrian J. Mulholland, and David R. Glowacki J. Chem. Phys. 155, 154106 (2021) Read the article → Building blocks for autonomous computing materials: Dimers, trimers, and tetramers  Xingfei Wei, Yinong Zhao, Yi Zhuang, and Rigoberto Hernandez J. Chem. Phys. 155, 154704 (2021) Read the article → All-electron real-time and imaginary-time time-dependent density functional theory within a numeric atom-centered basis function framework    Joscha Hekele, Yi Yao, Yosuke Kanai, Volker Blum, and Peter Kratzer J. Chem. Phys. 155, 154801 (2021) Read the article → Modeling lipid–protein interactions for coarse-grained lipid and Cα protein models  Diego Ugarte La Torre, and Shoji Takada J. Chem. Phys. 155, 155101 (2021) Read the article → Computational investigation of deformation mechanisms at the atomistic scale of metallic glass-graphene composites (MGGCs)  Arpit Agrawal, and Reza Mirzaeifar Journal of Applied Physics 130, 155105 (2021) Read the article → Mechanical properties and scaling laws of polycrystalline CuZr shape memory alloy  Yuhang Zhang, Jiejie Li, Yiqun Hu, Suhang Ding, Fuying Du, and Re Xia Journal of Applied Physics 130, 155106 (2021) Read the article → Suppressing exciton deconfinement and dissociation for efficient thermally activated delayed fluorescence OLEDs  C. Hauenstein, X. de Vries, C. H. L. Weijtens, P. Imbrasas, P.-A. Will, S. Lenk, K. Ortstein, S. Reineke, P. A. Bobbert, R. Coehoorn, and H. van Eersel Journal of Applied Physics 130, 155501 (2021) Read the article → The influence of twin boundary on lattice thermal conductivity of thermoelectric InSb  Yongpeng Ran, Zhongtao Lu, Xiaolian Zhang, Wenjuan Li, Bo Duan, Pengcheng Zhai, and Guodong Li Appl. Phys. Lett. 119, 161601 (2021) Read the article → Transformation of metastable dual-phase (Ti0.25V0.25Zr0.25Hf0.25)B2 to stable high-entropy single-phase boride by thermal annealing  Ana C. Feltrin, Daniel Hedman, and Farid Akhtar Appl. Phys. Lett. 119, 161905 (2021) Read the article → Effect of strain engineering on magnetism-induced valley splitting in WSe2 based on the WSe2/CrSe2 heterojunction  Cunyuan Jiang, Zhiyao Yang, Wen Xiong, and Fei Wang Appl. Phys. Lett. 119, 162101 (2021) Read the article → Prospects for n-type conductivity in cubic boron nitride    Mark E. Turiansky, Darshana Wickramaratne, John L. Lyons, and Chris G. Van de Walle Appl. Phys. Lett. 119, 162105 (2021) Read the article → Magnetic properties manipulation of CrTe2 bilayer through strain and self-intercalation  Qiu-Qiu Li, Si Li, Dan Wu, Zhong-Ke Ding, Xuan-Hao Cao, Lin Huang, Hui Pan, Bo Li, Ke-Qiu Chen, and Xi-Dong Duan Appl. Phys. Lett. 119, 162402 (2021) Read the article → Frequency-domain electron spin resonance spectroscopy using continuously frequency-tunable terahertz photomixers  Eiji Ohmichi, Yuto Shoji, Hideyuki Takahashi, and Hitoshi Ohta Appl. Phys. Lett. 119, 162404 (2021) Read the article → Controllable phase transitions between multiple charge density waves in monolayer 1T-VSe2 via charge doping  Zishen Wang, Jun Zhou, Kian Ping Loh, and Yuan Ping Feng Appl. Phys. Lett. 119, 163101 (2021) Read the article → Enhancement mechanisms of sub-bandgap broadband absorption in pyramid-structured silicon  Zhe Li, Tieyan Zhang, Jiachen Yu, Qiqige Wulan, Xiangru Zhou, and Zhijun Liu Journal of Applied Physics 130, 163101 (2021) Read the article → Ballistic transport in sub-10 nm monolayer planar GaN transistors for high-performance and low-power applications  Boyu Wang, Jing Ning, Jincheng Zhang, Dong Wang, Xinyi Yang, Yanqing Jia, Chi Zhang, Yu Zeng, and Yue Hao Appl. Phys. Lett. 119, 163504 (2021) Read the article → Ion storage mechanism of δ-MnO2 as supercapacitor cathode in multi-ion aqueous electrolyte: Experimental and theoretical analysis  Jing Wan, Xiao Gu, Peiyuan Ji, Jien Li, Junlin Lu, Shuang Luo, Bangxing Li, Li Huang, Mingquan He, and Chenguo Hu Appl. Phys. Lett. 119, 163901 (2021) Read the article → Rovibrational structure of the ytterbium monohydroxide molecule and the -violation searches  Anna Zakharova, Igor Kurchavov, and Alexander Petrov J. Chem. Phys. 155, 164301 (2021) Read the article → Isomerization and reorientation of Disperse Red 1 in poly(ethyl methacrylate)  S. Grebenkin, and V. M. Syutkin J. Chem. Phys. 155, 164901 (2021) Read the article → More Articles Related to this Topic→ Follow us on social media! Copyright © 2021 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. 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