Quantum Chemistry Topic Alert

Read the latest articles in Quantum Chemistry View in Browser | Forward to a Friend AIP Publishing Topic Alert April 2022 Quantum Chemistry My Settings Basic studies toward ultrafast soft x-ray photoelectron diffraction; its application to probing local structure in iodobenzene molecules    T. Teramoto, S. Minemoto, T. Majima, T. Mizuno, J. H. Mun, A. Yagishita, P. Decleva, and S. Tsuru Structural Dynamics 9, 024303 (2022) Read the article → Technical and personal remembrances of David A. Shirley in studies of surface magnetism, photoelectron spectroscopy, EUV lithography, and hydrogen storage  L. E. Klebanoff Journal of Vacuum Science & Technology A 40, 033206 (2022) Read the article → Structure evolution and mechanical properties of co-sputtered Zr-Al-B2 thin films  Tomáš Fiantok, Viktor Šroba, Nikola Koutná, Vitalii Izai, Tomáš Roch, Martin Truchlý, Marek Vidiš, Leonid Satrapinskyy, Štefan Nagy, Branislav Grančič, Peter Kúš, and Marián Mikula Journal of Vacuum Science & Technology A 40, 033414 (2022) Read the article → Ponderomotive force driven density modifications parallel to on the LAPD    R. L. Barnett, D. L. Green, C. L. Waters, J. D. Lore, D. N. Smithe, J. R. Myra, C. Lau, B. Van Compernolle, and S. Vincena Physics of Plasmas 29, 042508 (2022) Read the article → Formation, doping, and lithium incorporation in LiFePO4    Navaratnarajah Kuganathan, and Alexander Chroneos AIP Advances 12, 045225 (2022) Read the article → Density functional theory of waterwith the machine-learned DM21 functional  Etienne Palos, Eleftherios Lambros, Saswata Dasgupta, and Francesco Paesani J. Chem. Phys. 156, 161103 (2022) Read the article → Modeling temperature, frequency, and strain effects on the linear electro-optic coefficients of ferroelectric oxides  Yang Liu, Guodong Ren, Tengfei Cao, Rohan Mishra, and Jayakanth Ravichandran Journal of Applied Physics 131, 163101 (2022) Read the article → Effect of vertical strain and in-plane biaxial strain on type-II MoSi2N4/Cs3Bi2I9 van der Waals heterostructure  Congying Liu, Zhenwei Wang, Wenqi Xiong, Hongxia Zhong, and Shengjun Yuan Journal of Applied Physics 131, 163102 (2022) Read the article → Observation of an anisotropic ultrafast spin relaxation process in large-area WTe2 films    Yequan Chen, Zhendong Chen, Wenxuan Sun, Yongda Chen, Xianyang Lu, Xuezhong Ruan, Fengqiu Wang, Jing Wu, Liang He, Rong Zhang, Yongbing Xu, and Xuefeng Wang Journal of Applied Physics 131, 163903 (2022) Read the article → Static and dynamic Bethe–Salpeter equations in the T-matrix approximation    Pierre-François Loos, and Pina Romaniello J. Chem. Phys. 156, 164101 (2022) Read the article → Atomic shell structure from Born probabilities: Comparison to other shell descriptors and persistence in molecules  María Menéndez-Herrero, Julen Munárriz, Evelio Francisco, and Ángel Martín Pendás J. Chem. Phys. 156, 164103 (2022) Read the article → SAMPL9 blind predictions using nonequilibrium alchemical approaches  Piero Procacci, and Guido Guarnieri J. Chem. Phys. 156, 164104 (2022) Read the article → A rapid feature selection method for catalyst design: Iterative Bayesian additive regression trees (iBART)  Chun-Yen Liu, Shengbin Ye, Meng Li, and Thomas P. Senftle J. Chem. Phys. 156, 164105 (2022) Read the article → Adaptive fitting of potential energy surfaces of small to medium-sized molecules in sum-of-product form: Application to vibrational spectroscopy  Antoine Aerts, Moritz R. Schäfer, and Alex Brown J. Chem. Phys. 156, 164106 (2022) Read the article → Multi-center decomposition of molecular densities: A mathematical perspective  Robert Benda, Eric Cancès, Virginie Ehrlacher, and Benjamin Stamm J. Chem. Phys. 156, 164107 (2022) Read the article → Observation of unsaturated platinum carbenes Pt2C2n− (n = 1–3) clusters: A photoelectron imaging spectroscopic and theoretical study  Xuegang Liu, Gang Li, Zhiling Liu, Jinghan Zou, Dong Yang, Shihu Du, Wenshao Yang, Ling Jiang, and Hua Xie J. Chem. Phys. 156, 164302 (2022) Read the article → The complex vibrational spectrum of proline explained through the adiabatically switched semiclassical initial value representation  Giacomo Botti, Chiara Aieta, and Riccardo Conte J. Chem. Phys. 156, 164303 (2022) Read the article → Reduced-dimensional vibrational models of the water dimer  Emil Vogt, Irén Simkó, Attila G. Császár, and Henrik G. Kjaergaard J. Chem. Phys. 156, 164304 (2022) Read the article → Highly accurate HF dimer ab initio potential energy surface    Roman I. Ovsyannikov, Vladimir Yu. Makhnev, Nikolai F. Zobov, Jacek Koput, Jonathan Tennyson, and Oleg L. Polyansky J. Chem. Phys. 156, 164305 (2022) Read the article → Particle–hole asymmetry and quantum confinement effects on the magneto-optical response of topological insulator thin-films  Mahmoud M. Asmar, Gaurav Gupta, and Wang-Kong Tse Journal of Applied Physics 131, 164305 (2022) Read the article → Can molecular simulations reliably compare homogeneous and heterogeneous ice nucleation?    Dominic Atherton, Angelos Michaelides, and Stephen J. Cox J. Chem. Phys. 156, 164501 (2022) Read the article → Modeling thermodiffusion in aqueous sodium chloride solutions—Which water model is best?  Alice J. Hutchinson, Juan F. Torres, and Ben Corry J. Chem. Phys. 156, 164503 (2022) Read the article → Theory of length-scale dependent relaxation moduli and stress fluctuations in glass-forming and viscoelastic liquids  L. Klochko, J. Baschnagel, J. P. Wittmer, H. Meyer, O. Benzerara, and A. N. Semenov J. Chem. Phys. 156, 164505 (2022) Read the article → Cooperative effects driving the multi-periodic dynamics of cyclically sheared amorphous solids  Asaf Szulc, Muhittin Mungan, and Ido Regev J. Chem. Phys. 156, 164506 (2022) Read the article → Adsorption of molecular iodine on the Ag(111) surface: Phase transitions, silver reconstruction, and iodide growth  B. V. Andryushechkin, and T. V. Pavlova J. Chem. Phys. 156, 164702 (2022) Read the article → Interfacial thermal transport between graphene and diamane    Yang Hong, and Joshua S. Kretchmer J. Chem. Phys. 156, 164703 (2022) Read the article → Can one detect intermediate denaturation states of DNA sequences by following the equilibrium open–close dynamic fluctuations of a single base pair?  Keerti Chauhan, Amit Raj Singh, Sanjay Kumar, and Rony Granek J. Chem. Phys. 156, 164907 (2022) Read the article → Simultaneously realized large low-temperature magnetocaloric effect and good mechanical properties in Ni36Co13Mn35Ti16 alloy    Ziqi Guan, Jing Bai, Yu Zhang, Jianglong Gu, Xinzeng Liang, Yudong Zhang, Claude Esling, Xiang Zhao, and Liang Zuo Journal of Applied Physics 131, 165107 (2022) Read the article → Ultra-high liquid–solid thermal resistance using nanostructured gold surfaces coated with graphene    Cecilia Herrero, Laurent Joly, and Samy Merabia Appl. Phys. Lett. 120, 171601 (2022) Read the article → Nanorod orientation control by swift heavy ion irradiation  Spyridon Korkos, Ville Jantunen, Kai Arstila, Timo Sajavaara, Aleksi Leino, Kai Nordlund, and Flyura Djurabekova Appl. Phys. Lett. 120, 171602 (2022) Read the article → Regulation of energy band and luminescence properties in blue quasi-2D lead bromide perovskite via lattice strain  Chunyue Cao, Yao Lu, Huitian Li, Dandan Song, Suling Zhao, Zheng Xu, Aliaksandr Smirnov, and Bo Qiao Appl. Phys. Lett. 120, 172101 (2022) Read the article → Origin of the discrepancy between the fundamental and optical gaps and native defects in two dimensional ultra-wide bandgap semiconductor: Gallium thiophosphate  Tao Shen, Chen Zhang, Chen Qiu, and Hui-Xiong Deng Appl. Phys. Lett. 120, 172108 (2022) Read the article → Chirality-induced effective field in Pt/Co/MgO system with spatial anisotropy-modulation  T. Koyama, Y. Nakatani, and D. Chiba Appl. Phys. Lett. 120, 172402 (2022) Read the article → Rashba spin–orbit interaction effect in twisted silicon nanotubes for chiral spintronics  Pavel N. D'yachkov, and Evgeny P. D'yachkov Appl. Phys. Lett. 120, 173101 (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.