Quantum Chemistry Topic Alert

Read the latest articles in Quantum Chemistry View in Browser | Forward to a Friend AIP Publishing Topic Alert February 2022 Quantum Chemistry My Settings Quantifying biomolecular diffusion with a "spherical cow" model  Frederico Campos Freitas, Sandra Byju, Asem Hassan, Ronaldo Junio de Oliveira, and Paul C. Whitford American Journal of Physics 90, 225 (2022) Read the article → Evidence for multiple liquid–liquid phase transitions in carbon, and the Friedel ordering of its liquid state  M. W. C. Dharma-wardana, and Dennis D. Klug Physics of Plasmas 29, 022108 (2022) Read the article → Analytical approach to the solution of short-crested wave interaction with V-shaped and arc-shaped breakwaters  Zhenfeng Zhai, Xiaochen Li, and Lele Yang Physics of Fluids 34, 022112 (2022) Read the article → Damping rate measurements and predictions for gravity waves in an air–oil–water system  Girish Kumar Rajan Physics of Fluids 34, 022113 (2022) Read the article → Influence of temporal variations in plasma conditions on the electric potential near self-organized dust chains  Katrina Vermillion, Dustin Sanford, Lorin Matthews, Peter Hartmann, Marlene Rosenberg, Evdokiya Kostadinova, Jorge Carmona-Reyes, Truell Hyde, Andrey M. Lipaev, Alexandr D. Usachev, Andrey V. Zobnin, Oleg F. Petrov, Markus H. Thoma, Mikhail Y. Pustylnik, Hubertus M. Thomas, and Alexey Ovchinin Physics of Plasmas 29, 023701 (2022) Read the article → Bidirectional motion characteristics of a single harmonic-driven self-clamping linear piezoelectric motor  Liangguo He, Zengxiang Shan, Xinyu Li, Kun Li, Haotian Dou, Xinfang Ge, Yuge Dong, and Hu Wang Review of Scientific Instruments 93, 025008 (2022) Read the article → A numerical and theoretical study of the multipactor appearance in the presence of a DC parallel electric field    A. Plaçais, J. Hillairet, M. Belhaj, and J. Puech AIP Advances 12, 025022 (2022) Read the article → Plasmonic photo-catalysis using a CdS–silver nanowire composite      Ahmed T. Alanazi, Sawsan Almohammed, and James H. Rice AIP Advances 12, 025223 (2022) Read the article → Evaluation of exchange-correlation effects on the heat-shielding performance of carrier electrons in LaB6 using momentum-transfer resolved electron energy-loss spectroscopy    Yohei K. Sato, and Masami Terauchi Journal of Applied Physics 131, 063104 (2022) Read the article → Tuning chemical precompression: Theoretical design and crystal chemistry of novel hydrides in the quest for warm and light superconductivity at ambient pressures  Katerina P. Hilleke, and Eva Zurek Journal of Applied Physics 131, 070901 (2022) Read the article → ManyHF: A pragmatic automated method of finding lower-energy Hartree–Fock solutions for potential energy surface development    Tibor Győri, and Gábor Czakó J. Chem. Phys. 156, 071101 (2022) Read the article → Nature of the bonded-to-atomic transition in liquid silica to TPa pressures  Shuai Zhang, Miguel A. Morales, Raymond Jeanloz, Marius Millot, S. X. Hu, and Eva Zurek Journal of Applied Physics 131, 071101 (2022) Read the article → 2.7 μm quantum cascade detector: Above band gap energy intersubband detection    Miriam Giparakis, Hedwig Knötig, Hermann Detz, Maximilian Beiser, Werner Schrenk, Benedikt Schwarz, Gottfried Strasser, and Aaron Maxwell Andrews Appl. Phys. Lett. 120, 071104 (2022) Read the article → High solubility of Al and enhanced thermoelectric performance due to resonant states in Fe2VAlx    M. Parzer, F. Garmroudi, A. Riss, S. Khmelevskyi, T. Mori, and E. Bauer Appl. Phys. Lett. 120, 071901 (2022) Read the article → Non-equilibrium epitaxy of metastable polymorphs of ultrawide-bandgap gallium oxide  Wenrui Zhang, Jianguo Zhang, Li Chen, Wei Wang, Tan Zhang, Ningtao Liu, Tao Xu, Hongxin Yang, and Jichun Ye Appl. Phys. Lett. 120, 072101 (2022) Read the article → Negative thermal expansion of two-dimensional magnets  Shuang Liu, Meng-Qiu Long, and Yun-Peng Wang Appl. Phys. Lett. 120, 072403 (2022) Read the article → Beating the limitation of the Néel temperature of FeO with antiferromagnetic proximity in FeO/CoO    A. Kozioł-Rachwał, M. Szpytma, N. Spiridis, K. Freindl, J. Korecki, W. Janus, H. Nayyef, P. Dróżdż, M. Ślęzak, M. Zając, and T. Ślęzak Appl. Phys. Lett. 120, 072404 (2022) Read the article → Structural, electronic, and transport properties of 1D Ta2Ni3Se8 semiconducting material  You Kyoung Chung, Jiho Jeon, Junho Lee, Jae-Young Choi, and Joonsuk Huh Appl. Phys. Lett. 120, 073101 (2022) Read the article → Significantly enhanced interlayer ferromagnetic coupling in van der Waals Fe3GeTe2 bilayer by Be-ion intercalation  Xiaokun Huang, Jinlin Xu, Xin Nie, Chao Chen, Wei Wang, Guang Song, Xiangping Jiang, and Jun-Ming Liu Appl. Phys. Lett. 120, 073106 (2022) Read the article → Internal reverse-biased p–n junctions: A possible origin of the high resistance in chalcogenide superlattice for interfacial phase change memory  Bowen Li, Longlong Xu, Yuzheng Guo, and Huanglong Li Appl. Phys. Lett. 120, 073504 (2022) Read the article → Atomic-scale insights into the colossal barocaloric effects of neopentyl glycol plastic crystals    Fangbiao Li, Min Li, Chang Niu, and Hui Wang Appl. Phys. Lett. 120, 073902 (2022) Read the article → Impact of B-doping on topological Hall resistivity in (111)- and (110)-oriented Mn4N single layers with the non-collinear spin structure  Shinji Isogami, Mitsuru Ohtake, and Yukiko K. Takahashi Journal of Applied Physics 131, 073904 (2022) Read the article → Pressure-induced transition from pure electronic to mixed ionic-electronic conduction in strontium hydride    Qinglin Wang, Haiwa Zhang, Susu Duan, Peifang Li, Tianji Ou, Dandan Sang, Guozhao Zhang, Hui Jiao, Xin Zhang, Ying Shi, Yinwei Li, and Cailong Liu Appl. Phys. Lett. 120, 073904 (2022) Read the article → Representations and strategies for transferable machine learning improve model performance in chemical discovery    Daniel R. Harper, Aditya Nandy, Naveen Arunachalam, Chenru Duan, Jon Paul Janet, and Heather J. Kulik J. Chem. Phys. 156, 074101 (2022) Read the article → Comparing the nature of quantum plasmonic excitations for closely spaced silver and gold dimers    Zahra Jamshidi, Narges Asadi-Aghbolaghi, Razieh Morad, Erfan Mahmoudi, Souloke Sen, Malik Maaza, and Lucas Visscher J. Chem. Phys. 156, 074102 (2022) Read the article → Theoretical analysis and comparison of unitary coupled-cluster and algebraic-diagrammatic construction methods for ionization  Manuel Hodecker, Adrian L. Dempwolff, Jochen Schirmer, and Andreas Dreuw J. Chem. Phys. 156, 074104 (2022) Read the article → Physics-constrained Bayesian inference of state functions in classical density-functional theory  Peter Yatsyshin, Serafim Kalliadasis, and Andrew B. Duncan J. Chem. Phys. 156, 074105 (2022) Read the article → Evolution of plasmon-like excited states in silver nanowires and nanorods  Alva D. Dillon, and Rebecca L. M. Gieseking J. Chem. Phys. 156, 074301 (2022) Read the article → Correlated three-dimensional electron-nuclear motion: Adiabatic dynamics vs passage of conical intersections  Thomas Schaupp, and Volker Engel J. Chem. Phys. 156, 074302 (2022) Read the article → Rotranslational dynamics of confined water. II. Spectroscopic evidence of confinement effects on the far-infrared spectra of water isotopologues in argon and krypton matrices  T. Putaud, C. Wespiser, M. Bertin, J.-H. Fillion, Y. Kalugina, P. Jeseck, A. Milpanis, L. Philippe, P. Soulard, B. Tremblay, C. Tuloup, P. Ayotte, and X. Michaut J. Chem. Phys. 156, 074305 (2022) Read the article → The ultrafast nonradiative processes and photodissociation dynamics investigation of S1 state in propanal  Yanmei Wang, Jie Wei, Ling Cao, Bing Zhang, and Song Zhang J. Chem. Phys. 156, 074306 (2022) Read the article → Slow liquid dynamics near solid surfaces: Insights from site-resolved studies of ionic liquids in silica confinement  Robin Köster, and Michael Vogel J. Chem. Phys. 156, 074501 (2022) Read the article → Field-cycling 31P and 1H NMR relaxometry studying the reorientational dynamics of glass forming organophosphates  M. Becher, M. Flämig, and E. A. Rössler J. Chem. Phys. 156, 074502 (2022) Read the article → Manipulation of the high-order harmonic generation in monolayer hexagonal boron nitride by two-color laser field  Xiao-Shuang Kong, Hao Liang, Xiao-Yuan Wu, Lei Geng, Wan-Dong Yu, and Liang-You Peng J. Chem. Phys. 156, 074701 (2022) Read the article → Dynamic molecular conformational change leading to energy transfer in F8-5% BSP copolymer revealed by single-molecule spectroscopy  Hao Yan, Tzu-Wei Tseng, Shun Omagari, Iain Hamilton, Tomonori Nakamura, Martin Vacha, and Ji-Seon Kim J. Chem. Phys. 156, 074704 (2022) Read the article → Experimental verification of increased electronic excitation energy of water in hydrate-melt water by attenuated total reflection-far-ultraviolet spectroscopy  Nami Ueno, Masato Takegoshi, Anna Zaitceva, Yukihiro Ozaki, and Yusuke Morisawa J. Chem. Phys. 156, 074705 (2022) Read the article → Interfacial dynamics in inverted-headgroup lipid membranes  Euihyun Lee, Xiao You, and Carlos R. Baiz J. Chem. Phys. 156, 075102 (2022) Read the article → Phase diagram and mechanical properties of fifteen quaternary high-entropy metal diborides: First-principles calculations and thermodynamics  Shi-Yu Liu, Changming Liu, Shuoxin Zhang, Shiyang Liu, De-Jun Li, Yaping Li, and Sanwu Wang Journal of Applied Physics 131, 075105 (2022) Read the article → First-principles study of oxygen vacancy formation in strained oxides  Inseo Kim, Hyungwoo Lee, and Minseok Choi Journal of Applied Physics 131, 075106 (2022) Read the article → The influence of premixed interlayers on the reaction propagation in Al–Ni multilayers —An MD approach  Fabian Schwarz, and Ralph Spolenak Journal of Applied Physics 131, 075107 (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.