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 Oscillating spin vortices in a two-sublattice uniaxial antiferromagnet  Yu. I. Gorobets, O. Yu. Gorobets, and V. V. Kulish Low Temperature Physics 47, 843 (2021) Read the article → Effect of hydrostatic pressure on the magnetic susceptibility of MnF2 single crystal  A. S. Panfilov, and G. E. Grechnev Low Temperature Physics 47, 863 (2021) Read the article → Study on doping configuration of two Ga atoms in silicene nanoribbons in the external field  Hoang Van Ngoc AIP Conference Proceedings 2408, 020007 (2021) Read the article → Hybrid QM/classical models: Methodological advances and new applications      Filippo Lipparini, and Benedetta Mennucci Chem. Phys. Rev. 2, 041303 (2021) Read the article → Evolution of hybrid organic–inorganic perovskite materials under external pressure      Manasa G. Basavarajappa, Mohammad Khaja Nazeeruddin, and Sudip Chakraborty Applied Physics Reviews 8, 041309 (2021) Read the article → Microsecond melting and revitrification of cryo samples      Jonathan M. Voss, Oliver F. Harder, Pavel K. Olshin, Marcel Drabbels, and Ulrich J. Lorenz Structural Dynamics 8, 054302 (2021) Read the article → Effect of addition of TiO2 nanoparticles on structural and dielectric properties of polystyrene/polyvinyl chloride polymer blend    L. H. Gaabour AIP Advances 11, 105120 (2021) Read the article → Extended shallow-water theories with thermodynamics and geometry    F. J. Beron-Vera Physics of Fluids 33, 106605 (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 → Determining the enantioselectivity of asymmetric hydrogenation through parahydrogen-induced hyperpolarization  Wenlong Jiang, Qiwei Peng, Huijun Sun, Qi Zhang, Chengda Huang, Shuohui Cao, Xinchang Wang, and Zhong Chen J. Chem. Phys. 155, 161101 (2021) Read the article → A search for a DFT functional for actinide compounds  Artem Mitrofanov, Nikolai Andreadi, Vadim Korolev, and Stepan Kalmykov J. Chem. Phys. 155, 161103 (2021) Read the article → Learning intermolecular forces at liquid–vapor interfaces    Samuel P. Niblett, Mirza Galib, and David T. Limmer J. Chem. Phys. 155, 164101 (2021) Read the article → Approaching the basis set limit in Gaussian-orbital-based periodic calculations with transferability: Performance of pure density functionals for simple semiconductors  Joonho Lee, Xintian Feng, Leonardo A. Cunha, Jérôme F. Gonthier, Evgeny Epifanovsky, and Martin Head-Gordon J. Chem. Phys. 155, 164102 (2021) Read the article → Two-dimensional retrieval methods for ultrafast imaging of molecular structure using laser-induced electron diffraction  Su-Ju Wang, Jiří Daněk, Cosmin I. Blaga, Louis F. DiMauro, Jens Biegert, and C. D. Lin J. Chem. Phys. 155, 164104 (2021) Read the article → A unified and flexible formulation of molecular fragmentation schemes  Janine Hellmers, and Carolin König J. Chem. Phys. 155, 164105 (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 → Extraction of giant Dzyaloshinskii–Moriya interaction from ab initio calculations: First-order spin–orbit coupling model and methodological study  Mohammed-Amine Bouammali, Nicolas Suaud, Rémi Maurice, and Nathalie Guihéry J. Chem. Phys. 155, 164305 (2021) Read the article → A full-dimensional ab initio potential energy and dipole moment surfaces for (NH3)2  Shuo Yang, Zhaojun Zhang, and Dong H. Zhang J. Chem. Phys. 155, 164306 (2021) Read the article → Effects of surface diffusion in electrocatalytic CO2 reduction on Cu revealed by kinetic Monte Carlo simulations  Jinghan Li, Ilaria Maresi, Yanwei Lum, and Joel W. Ager J. Chem. Phys. 155, 164701 (2021) Read the article → Martensitic transformation in superlattices of two non-transforming metals    Shivam Tripathi, Michael S. Titus, and Alejandro Strachan Journal of Applied Physics 130, 165105 (2021) Read the article → Graphene-mediated stabilization of surface facets on metal substrates  Ganesh Ananthakrishnan, Mitisha Surana, Matthew Poss, Jad Jean Yaacoub, Kaihao Zhang, Nikhil Admal, Pascal Pochet, Sameh Tawfick, and Harley T. Johnson Journal of Applied Physics 130, 165302 (2021) Read the article → Coupling and scaling effect for low-frequency broadband sound absorption via vertex-based hierarchy  Zhonggang Wang, Zichao Guo, Zhendong Li, and Kexin Zeng Appl. Phys. Lett. 119, 171903 (2021) Read the article → Atomic-scale characterization of structural and electronic properties of Hf doped β-Ga2O3    Adrian Chmielewski, Ziling Deng, Muad Saleh, Jani Jesenovec, Wolfgang Windl, Kelvin Lynn, John McCloy, and Nasim Alem Appl. Phys. Lett. 119, 172102 (2021) Read the article → Breaking the symmetry of spin-sublattices in antiferromagnet by interfacial tailoring in the L10-MnPt/NaCl/Fe junction  Junwei Tong, Yanzhao Wu, Liuxia Ruan, Bo Yang, Guangming Xie, Gaowu Qin, Fubo Tian, and Xianmin Zhang Appl. Phys. Lett. 119, 172401 (2021) Read the article → Probing the atomic-scale ferromagnetism in van der Waals magnet CrSiTe3    Wei Niu, Xiaoqian Zhang, Wei Wang, Jiabao Sun, Yongbing Xu, Liang He, Wenqing Liu, and Yong Pu Appl. Phys. Lett. 119, 172402 (2021) Read the article → Contrasting para- and ferro-magnetic responses of (Gd,Dy)N alloys  C. Pot, W. F. Holmes-Hewett, B. J. Ruck, and H. J. Trodahl Appl. Phys. Lett. 119, 172406 (2021) Read the article → Systematic studies of the effects of group-III dopants (La, Y, Al, and Gd) in Hf0.5Zr0.5O2 ferroelectrics by ab initio simulations  Liang Zhao, Jirong Liu, and Yi Zhao Appl. Phys. Lett. 119, 172903 (2021) Read the article → Stabilization of thick, rhombohedral Hf0.5Zr0.5O2 epilayer on c-plane ZnO  Maoyuan Zheng, Zhigang Yin, Yong Cheng, Xingwang Zhang, Jinliang Wu, and Jing Qi Appl. Phys. Lett. 119, 172904 (2021) Read the article → Strain and ferroelectricity in wurtzite ScxAl1−xN materials  Sergiu Clima, Christopher Pashartis, Jasper Bizindavyi, Sean R. C. McMitchell, Michel Houssa, Jan Van Houdt, and Geoffrey Pourtois Appl. Phys. Lett. 119, 172905 (2021) Read the article → Antiferromagnetic ferroelastic multiferroics in single-layer VOX (X = Cl, Br) predicted from first-principles  Yangyang Feng, Rui Peng, Ying Dai, Baibiao Huang, Lili Duan, and Yandong Ma Appl. Phys. Lett. 119, 173103 (2021) Read the article → Engineering antiferromagnetic topological insulator by strain in two-dimensional rare-earth pnictide EuCd2Sb2  Runhan Li, Hao Wang, Ning Mao, Hongkai Ma, Baibiao Huang, Ying Dai, and Chengwang Niu Appl. Phys. Lett. 119, 173105 (2021) Read the article → Engineering local strain for single-atom nuclear acoustic resonance in silicon  Laura A. O'Neill, Benjamin Joecker, Andrew D. Baczewski, and Andrea Morello Appl. Phys. Lett. 119, 174001 (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. For technical assistance with this service, please contact help@scitation.org. 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