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 Ultra-high stability and magnetic response of magnetorheological fluids based on magnetic ionic liquids and carbonyl iron fibers  Xiaolin Li, Ruihua Guan, KangTai Ou, Qiang Fu, Guiyan Yang, and Youyi Sun Journal of Rheology 65, 1347 (2021) Read the article → Preparation and characterization of mawsonite Cu6Fe2SnS8 [CFTS] thin films via the semi-computerized spray pyrolysis technique for photovoltaic applications  Bahaa T. Chiad, Mushtaq Talib Al-Helaly, and Nathera A. Al-Tememee AIP Conference Proceedings 2404, 020003 (2021) Read the article → Spin–orbit torques of an in-plane magnetized system modulated by the spin transport in the ferromagnetic Co layer    Fen Xue, Shy-Jay Lin, Peng Li, William Hwang, Yen-Lin Huang, Wilman Tsai, and Shan X. Wang APL Materials 9, 101106 (2021) Read the article → Diffusion limit of the Vlasov equation in the weak turbulent regime  Claude Bardos, and Nicolas Besse J. Math. Phys. 62, 101505 (2021) Read the article → Bound states in the continuum and Fano resonances in subwavelength resonator arrays    Habib Ammari, Bryn Davies, Erik Orvehed Hiltunen, Hyundae Lee, and Sanghyeon Yu J. Math. Phys. 62, 101506 (2021) Read the article → Global well-posedness and decay for viscous water wave models  Rafael Granero-Belinchón, and Stefano Scrobogna Physics of Fluids 33, 102115 (2021) Read the article → Saturation physics of threshold heat-flux reduction    P.-Y. Li, P. W. Terry, G. G. Whelan, and M. J. Pueschel Physics of Plasmas 28, 102507 (2021) Read the article → Reconstructing network structures from partial measurements  Melvyn Tyloo, Robin Delabays, and Philippe Jacquod Chaos 31, 103117 (2021) Read the article → Dynamical conductivity of warm dense matter from correlation functions with account for interband transitions  M. Veysman, G. Röpke, and H. Reinholz Physics of Plasmas 28, 103303 (2021) Read the article → Hypoellipticity and the Mori–Zwanzig formulation of stochastic differential equations  Yuanran Zhu, and Daniele Venturi J. Math. Phys. 62, 103505 (2021) Read the article → A kinetic approach to studying low-frequency molecular fluctuations in a one-dimensional shock    Saurabh S. Sawant, Deborah A. Levin, and Vassilios Theofilis Physics of Fluids 33, 104106 (2021) Read the article → Diamond/β-Ga2O3 pn heterojunction diodes fabricated by low-temperature direct-bonding    Phongsaphak Sittimart, Shinya Ohmagari, Takashi Matsumae, Hitoshi Umezawa, and Tsuyoshi Yoshitake AIP Advances 11, 105114 (2021) Read the article → Tutorial on elastic interaction models for multistep spin-crossover transitions  Masamichi Nishino, Yogendra Singh, Kamel Boukheddaden, and Seiji Miyashita Journal of Applied Physics 130, 141102 (2021) Read the article → Energy diagram and parameters regarding localized states in InGaN/GaN nanocolumns  N. Shimosako, K. Kinjo, Y. Inose, T. Nakaoka, T. Oto, K. Kishino, and K. Ema Journal of Applied Physics 130, 143106 (2021) Read the article → Critical currents in conventional Josephson junctions with grain boundaries  Miguel Antonio Sulangi, Laetitia Bettmann, T. A. Weingartner, N. Pokhrel, E. Patrick, M. Law, A. Kreisel, and P. J. Hirschfeld Journal of Applied Physics 130, 143901 (2021) Read the article → Local hybrid functionals augmented by a strong-correlation model  Artur Wodyński, Alexei V. Arbuznikov, and Martin Kaupp J. Chem. Phys. 155, 144101 (2021) Read the article → The role of QED effects in transition energies of heavy-atom alkaline earth monofluoride molecules: A theoretical study of Ba+, BaF, RaF, and E120F  Leonid V. Skripnikov, Dmitry V. Chubukov, and Vera M. Shakhova J. Chem. Phys. 155, 144103 (2021) Read the article → Adaptive partitioning molecular dynamics using an extended Hamiltonian approach  Jim Bachmann, and Nikos L. Doltsinis J. Chem. Phys. 155, 144104 (2021) Read the article → Control of concerted back-to-back double ionization dynamics in helium  Henrik R. Larsson, and David J. Tannor J. Chem. Phys. 155, 144105 (2021) Read the article → Gaussian process models of potential energy surfaces with boundary optimization  Jack Broad, Simon Preston, Richard J. Wheatley, and Richard S. Graham J. Chem. Phys. 155, 144106 (2021) Read the article → Spherical potential functional theory  Á. Nagy J. Chem. Phys. 155, 144108 (2021) Read the article → Active learning of potential-energy surfaces of weakly bound complexes with regression-tree ensembles  Yahya Saleh, Vishnu Sanjay, Armin Iske, Andrey Yachmenev, and Jochen Küpper J. Chem. Phys. 155, 144109 (2021) Read the article → Nucleation rates from small scale atomistic simulations and transition state theory  Kristof M. Bal J. Chem. Phys. 155, 144111 (2021) Read the article → Influence of non-adiabatic effects on linear absorption spectra in the condensed phase: Methylene blue  Angus J. Dunnett, Duncan Gowland, Christine M. Isborn, Alex W. Chin, and Tim J. Zuehlsdorff J. Chem. Phys. 155, 144112 (2021) Read the article → The effects of nitroxide structure upon 1H Overhauser dynamic nuclear polarization efficacy at ultralow-field    Paul Fehling, Kai Buckenmaier, Sergey A. Dobrynin, Denis A. Morozov, Yuliya F. Polienko, Yulia V. Khoroshunova, Yulia Borozdina, Philipp Mayer, Jörn Engelmann, Klaus Scheffler, Goran Angelovski, and Igor A. Kirilyuk J. Chem. Phys. 155, 144203 (2021) Read the article → A new multiscale approach to rapidly determine the local emission current density of nanoscale metallic field emitters  J. Ludwick, M. Cahay, N. Hernandez, H. Hall, J. O'Mara, K. L. Jensen, J. H. B. Deane, R. G. Forbes, and T. C. Back Journal of Applied Physics 130, 144302 (2021) Read the article → Experimental determination of the interaction potential between a helium atom and the interior surface of a C60 fullerene molecule    George Razvan Bacanu, Tanzeeha Jafari, Mohamed Aouane, Jyrki Rantaharju, Mark Walkey, Gabriela Hoffman, Anna Shugai, Urmas Nagel, Monica Jiménez-Ruiz, Anthony J. Horsewill, Stéphane Rols, Toomas Rõõm, Richard J. Whitby, and Malcolm H. Levitt J. Chem. Phys. 155, 144302 (2021) Read the article → Predissociation measurements of the bond dissociation energies of EuO, TmO, and YbO  Dakota M. Merriles, Kimberly H. Tomchak, Joshua C. Ewigleben, and Michael D. Morse J. Chem. Phys. 155, 144303 (2021) Read the article → Tunable contacts and device performances in graphene/group-III monochalcogenides MX (M = In, Ga; X = S, Se) van der Waals heterostructures  Hailing Guo, Yiheng Yin, Huan Niu, John Robertson, Zhaofu Zhang, and Yuzheng Guo Journal of Applied Physics 130, 144303 (2021) Read the article → Impurity diffusion in magic-size icosahedral clusters    Diana Nelli, Fabio Pietrucci, and Riccardo Ferrando J. Chem. Phys. 155, 144304 (2021) Read the article → Molecular dynamics study of six-dimensional hard hypersphere crystals  Leo Lue, Marvin Bishop, and Paula A. Whitlock J. Chem. Phys. 155, 144502 (2021) Read the article → Enhanced Li-ion diffusion and electrochemical performance in strained-manganese–iron oxide core–shell nanoparticles  Anuj Bhargava, Yuval Elbaz, Quynh Sam, Michelle A. Smeaton, Lena F. Kourkoutis, Maytal Caspary Toroker, and Richard D. Robinson J. Chem. Phys. 155, 144702 (2021) Read the article → Interaction between dilute water vapor and dodecane thiol ligated Au nanoparticles: Hydrated structure and pair potential of mean force  Michael N. Martinez, Alex G. Smith, Linsey M. Nowack, Binhua Lin, and Stuart A. Rice J. Chem. Phys. 155, 144902 (2021) Read the article → Depletion torques between anisotropic colloidal particles  Thomas G. Mason J. Chem. Phys. 155, 144903 (2021) Read the article → Role of f-electrons in determining insulator to metal phase transitions of Ca(La1−xCex)2S4 (0 ≤ x ≤ 1) solid solution: A DFT + U study  Hori Pada Sarker, and Muhammad N. Huda Journal of Applied Physics 130, 145102 (2021) Read the article → Thermal conductivity tensor of β-1,3,5,7-tetranitro-1,3,5,7-tetrazoctane (β-HMX) as a function of pressure and temperature    Romain Perriot, and Marc J. Cawkwell Journal of Applied Physics 130, 145106 (2021) Read the article → Dominant hydrogen complex in natural anatase TiO2  E. V. Lavrov, I. Chaplygin, F. Herklotz, V. V. Melnikov, Y. Kutin, and L. Vines Journal of Applied Physics 130, 145701 (2021) Read the article → Deep eutectic solvents—The vital link between ionic liquids and ionic solutions  Andrew P. Abbott, Karen J. Edler, and Alister J. Page J. Chem. Phys. 155, 150401 (2021) Read the article → Hydration-controlled excited-state relaxation in protonated dopamine studied by cryogenic ion spectroscopy    Keisuke Hirata, Ken-ichi Kasai, Gilles Grégoire, Shun-ichi Ishiuchi, and Masaaki Fujii J. Chem. Phys. 155, 151101 (2021) Read the article → Multi-directions pure even harmonic simultaneous generation from planar molecules in linearly polarized laser fields  Haifeng Yin, Dandan Liu, and Fanju Zeng Appl. Phys. Lett. 119, 151105 (2021) Read the article → Sensing strain-induced symmetry breaking by reflectance anisotropy spectroscopy  M. Volpi, S. Beck, A. Hampel, H. Galinski, A. Sologubenko, and R. Spolenak Appl. Phys. Lett. 119, 151602 (2021) Read the article → Pressure-induced suppression of Jahn–Teller distortions and enhanced electronic properties in high-entropy oxide (Mg0.2Ni0.2Co0.2Zn0.2Cu0.2)O    Jiejuan Yan, Lingkong Zhang, Junxiu Liu, Nana Li, Nobumichi Tamura, Bin Chen, Yu Lin, Wendy L. Mao, and Hengzhong Zhang Appl. Phys. Lett. 119, 151901 (2021) Read the article → Feeble metallicity and robust semiconducting regime in structurally sensitive Ba(Pb, Sn)O3 alloys  Ravi Kashikar, and B. R. K. Nanda Appl. Phys. Lett. 119, 152103 (2021) Read the article → Spin-lattice angular momentum transfer of localized and valence electrons in the demagnetization transient state of gadolinium      Régis Decker, Artur Born, Kari Ruotsalainen, Karl Bauer, Robert Haverkamp, Robby Büchner, Annette Pietzsch, and Alexander Föhlisch Appl. Phys. Lett. 119, 152403 (2021) Read the article → Anomalous Nernst effect in Fe–Si alloy films  Yuki Hamada, Yuichiro Kurokawa, Tomoki Yamauchi, Hiroki Hanamoto, and Hiromi Yuasa Appl. Phys. Lett. 119, 152404 (2021) Read the article → Observation of structural distortion and topological Hall effect in noncollinear antiferromagnetic hexagonal Mn3Ga magnets  Linxuan Song, Bei Ding, Hang Li, Senhao Lv, Yuan Yao, Dongliang Zhao, Jun He, and Wenhong Wang Appl. Phys. Lett. 119, 152405 (2021) Read the article → Multilevel switching in Mg-doped HfOx memristor through the mutual-ion effect  Li-Heng Li, Kan-Hao Xue, Lan-Qing Zou, Jun-Hui Yuan, Huajun Sun, and Xiangshui Miao Appl. Phys. Lett. 119, 153505 (2021) Read the article → Fabrication of InGaN/Si (111) nanowire heterostructure photoanode for hydrogen generation under visible light  Loganathan Ravi, Prerna Chauhan, and Kuppulingam Boopathi Appl. Phys. Lett. 119, 153901 (2021) Read the article → Magnonic topological insulator realized in 2D magnetic skyrmion crystals  Kaile Xie, Lifa Zhang, and Fusheng Ma Journal of Applied Physics 130, 153901 (2021) Read the article → First-principles calculations of physical properties and superconductivity of orthorhombic Mo2BC and Nb2BN  S. Saib, H. Y. Uzunok, Ertugˇrul Karaca, S. Bagˇcı, H. M. Tütüncü, and G. P. Srivastava Journal of Applied Physics 130, 153902 (2021) Read the article → More Articles Related to this Topic→ Follow us on social media! Copyright © 2021 AIP Publishing. 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