Quantum Chemistry Topic Alert

Read the latest articles in Quantum Chemistry View in Browser | Forward to a Friend AIP Publishing Topic Alert August 2021 Quantum Chemistry My Settings In this issue: September 2021  Beth Parks American Journal of Physics 89, 825 (2021) Read the article → Vocal fold vibration mode changes due to cricothyroid and thyroarytenoid muscle interaction in a three-dimensional model of the canine larynx  Biao Geng, Mohammadreza Movahhedi, Qian Xue, and Xudong Zheng The Journal of the Acoustical Society of America 150, 1176 (2021) Read the article → Electronic and catalytic engineering in two-dimensional vdW metal–organic frameworks through alloying    Yuxia Shen, Bohan Shan, Christopher Muhich, Srishti Gupta, Han Li, Patrick Hays, Ying Qin, Shiljashree Vijay, Joseph Winarta, Bin Mu, and Sefaattin Tongay Applied Physics Reviews 8, 031411 (2021) Read the article → Erratum: "Formation and desorption of nickel hexafluoroacetylacetonate Ni(hfac)2 on a nickel oxide surface in atomic layer etching processes" [J. Vac. Sci. Technol. A 38, 052602 (2020)]  Abdulrahman H. Basher, Marjan Krstić, Karin Fink, Tomoko Ito, Kazuhiro Karahashi, Wolfgang Wenzel, and Satoshi Hamaguchi Journal of Vacuum Science & Technology A 39, 057001 (2021) Read the article → Spectral control of high order harmonics through non-linear propagation effects  M. Hussain, S. Kaassamani, T. Auguste, W. Boutu, D. Gauthier, M. Kholodtsova, J.-T. Gomes, L. Lavoute, D. Gaponov, N. Ducros, S. Fevrier, R. Nicolas, T. Imran, P. Zeitoun, G. O. Williams, M. Fajardo, and H. Merdji Appl. Phys. Lett. 119, 071101 (2021) Read the article → Modulation of π-stacking modes and photophysical properties of an organic semiconductor through isosteric cocrystallization  Gonzalo Campillo-Alvarado, Michael Bernhardt, Daniel W. Davies, Julio A. N. T. Soares, Toby J. Woods, and Ying Diao J. Chem. Phys. 155, 071102 (2021) Read the article → Quantum nature of molecular vibrational quenching: Water–molecular hydrogen collisions  Laurent Wiesenfeld J. Chem. Phys. 155, 071104 (2021) Read the article → Prediction of adhesion between randomly rough surfaces by order statistics  Hong Hu, Suo Zhao, Wenshuo Wang, Yuqi Zhang, Yu Fu, and Zijian Zheng Appl. Phys. Lett. 119, 071603 (2021) Read the article → Tuning magnetic and optical properties through strain in epitaxial LaCrO3 thin films  Yogesh Sharma, Binod Paudel, Jegon Lee, Woo Seok Choi, Zhenzhong Yang, Han Wang, Yingge Du, Kyeong Tae Kang, Ghanshyam Pilania, and Aiping Chen Appl. Phys. Lett. 119, 071902 (2021) Read the article → Power electronics figure-of-merit of ScAlN    Hanlin Fu, Justin C. Goodrich, Onoriode Ogidi-Ekoko, and Nelson Tansu Appl. Phys. Lett. 119, 072101 (2021) Read the article → Topological spin textures in a two-dimensional MnBi2(Se, Te)4 Janus material      Jiawei Jiang, Xiang Liu, Rui Li, and Wenbo Mi Appl. Phys. Lett. 119, 072401 (2021) Read the article → Stable valley-layer coupling and design principle in 2D lattice  Xilong Xu, Zhonglin He, Ying Dai, Baibiao Huang, Liangzhi Kou, and Yandong Ma Appl. Phys. Lett. 119, 073101 (2021) Read the article → Strain-tuning PtSe2 for high ON-current lateral tunnel field-effect transistors  Manasa Kaniselvan, and Youngki Yoon Appl. Phys. Lett. 119, 073102 (2021) Read the article → Density functional theory of superfluid helium at finite temperatures  Austin Long, and Jussi Eloranta J. Chem. Phys. 155, 074102 (2021) Read the article → A modified nudged elastic band algorithm with adaptive spring lengths  D. Mandelli, and M. Parrinello J. Chem. Phys. 155, 074103 (2021) Read the article → NMR chemical shift computations at second-order Møller–Plesset perturbation theory using gauge-including atomic orbitals and Cholesky-decomposed two-electron integrals  Sophia Burger, Filippo Lipparini, Jürgen Gauss, and Stella Stopkowicz J. Chem. Phys. 155, 074105 (2021) Read the article → Re-integration with anchor points algorithm for ab initio molecular dynamics  Jingjing Zheng, and Michael J. Frisch J. Chem. Phys. 155, 074106 (2021) Read the article → Deciphering the dual emission in the photoluminescence of Au14Cd(SR)12: A theoretical study using TDDFT and TDDFT + TB  Shana Havenridge, and Christine M. Aikens J. Chem. Phys. 155, 074302 (2021) Read the article → Does mesoscopic elasticity control viscous slowing down in glassforming liquids?  Geert Kapteijns, David Richard, Eran Bouchbinder, Thomas B. Schrøder, Jeppe C. Dyre, and Edan Lerner J. Chem. Phys. 155, 074502 (2021) Read the article → Solvation of anthraquinone and TEMPO redox-active species in acetonitrile using a polarizable force field  Roxanne Berthin, Alessandra Serva, Kyle G. Reeves, Esther Heid, Christian Schröder, and Mathieu Salanne J. Chem. Phys. 155, 074504 (2021) Read the article → Manipulating meso-scale solvent structure from Pd nanoparticle deposits in deep eutectic solvents  Joshua A. Hammons, Quinn A. Besford, Jan Ilavsky, and Andrew J. Christofferson J. Chem. Phys. 155, 074505 (2021) Read the article → Dissociation of water on atomic oxygen-covered Rh nanoclusters supported on graphene/Ru(0001)  Yi-Cheng Huang, Hung-Yu Yen, Liang-Wei Lan, D. Dutta, A. Rahmah, Yu-Ling Lai, Yao-Jane Hsu, Chien-Cheng Kuo, Jeng-Han Wang, and Meng-Fan Luo J. Chem. Phys. 155, 074701 (2021) Read the article → Application of the dynamic mean field theory to fluid transport in slit pores  Tianmu Yuan, Amir H. Farmahini, and Lev Sarkisov J. Chem. Phys. 155, 074702 (2021) Read the article → Kinetically driven island morphology in growth on strained Cu(100)  Indiras Khatri, Ehsan H. Sabbar, Yunsic Shim, and Jacques G. Amar J. Chem. Phys. 155, 074703 (2021) Read the article → AENET–LAMMPS and AENET–TINKER: Interfaces for accurate and efficient molecular dynamics simulations with machine learning potentials  Michael S. Chen, Tobias Morawietz, Hideki Mori, Thomas E. Markland, and Nongnuch Artrith J. Chem. Phys. 155, 074801 (2021) Read the article → Structural and short-time vibrational properties of colloidal glasses and supercooled liquids in the vicinity of the re-entrant glass transition  Xiaoguang Ma, Chandan K. Mishra, P. Habdas, and A. G. Yodh J. Chem. Phys. 155, 074902 (2021) Read the article → The role of pre-existing defects in shock-generated ejecta in copper    R. M. Flanagan, M. A. Meyers, and S. J. Fensin Journal of Applied Physics 130, 075101 (2021) Read the article → Atomistic simulations of effects of Zr solute and loading mode on mechanical behavior of nanocrystalline Cu    Cheng-Da Wu, and He-Xing Li Journal of Applied Physics 130, 075102 (2021) Read the article → Infrared harmonic features of collagen models at B3LYP-D3: From amide bands to the THz region  Michele Cutini, and Piero Ugliengo J. Chem. Phys. 155, 075102 (2021) Read the article → Spalling fracture of Ni/Al nanolaminates influenced by chemical reaction  Xia Tian, Meizhen Xiang, Junzhi Cui, Guangyu Ji, and Zhuojia Fu Journal of Applied Physics 130, 075103 (2021) Read the article → High-mobility ZnVxOy/ZnO conduction path in ZnO/V/ZnO multilayer structure  B. J. Li, Y. S. Wei, C. H. Liao, W. H. Chen, C. Y. Chou, C. Cheng, and C. Y. Liu Journal of Applied Physics 130, 075302 (2021) Read the article → Influence from the electronic shell structure on the range distribution during channeling of 40–300 keV ions in 4H-SiC    M. K. Linnarsson, L. Vines, and A. Hallén Journal of Applied Physics 130, 075701 (2021) Read the article → Erratum: "Nonlocal pseudopotentials and time-step errors in diffusion Monte Carlo" [J. Chem. Phys. 154, 214110 (2021)]  Tyler A. Anderson, and C. J. Umrigar J. Chem. Phys. 155, 079901 (2021) Read the article → Self-diffusivity of dense confined fluids    Carlos Corral-Casas, Livio Gibelli, Matthew K. Borg, Jun Li, Saad F. K. Al-Afnan, and Yonghao Zhang Physics of Fluids 33, 082009 (2021) Read the article → Modeling the spectral modification of lower hybrid wave in the presence of drift-wave type density fluctuation in the scrape-off-layer of the EAST tokamak  C. B. Wu, B. J. Ding, M. H. Li, S. G. Baek, G. M. Wallace, Y. C. Li, G. H. Yan, and S. C. Liu Physics of Plasmas 28, 082507 (2021) Read the article → Cross-beam energy transfer saturation by ion trapping-induced detuning  K. L. Nguyen, L. Yin, B. J. Albright, A. M. Hansen, D. H. Froula, D. Turnbull, R. K. Follett, and J. P. Palastro Physics of Plasmas 28, 082705 (2021) Read the article → Analytic solutions of the variable force effect in lattice Boltzmann methods for Poiseuille flows  Hung-Wen Chang, Anshul Garg, and Chao-An Lin Physics of Fluids 33, 083610 (2021) Read the article → High-speed laser speckle imaging to unravel picoliter drop-on-demand to substrate interaction    R. Antonelli, R. Fokkink, N. Tomozeiu, J. Sprakel, and T. E. Kodger Review of Scientific Instruments 92, 083906 (2021) Read the article → Diffusion of excessively adsorbed hydrogen atoms on hydrogen terminated Si(100)(2×1) surface    Kouji Inagaki, Yoshitada Morikawa, Hiromasa Ohmi, Kiyoshi Yasutake, and Hiroaki Kakiuchi AIP Advances 11, 085318 (2021) Read the article → Monotonic variation in carbon-related defects with Fermi level in different conductive types of GaN    Yuheng Zhang, Feng Liang, Degang Zhao, Jing Yang, Ping Chen, and Zongshun Liu AIP Advances 11, 085321 (2021) Read the article → Effects of Li adsorption on the physical properties of CrBr3 and CrCl3: From monolayer to multilayer    Guojun Qin, Shujing Li, and Xiaohong Shao AIP Advances 11, 085323 (2021) Read the article → Engineering and controlling topological spin textures for use in practical applications  A magnetically stable Janus material is proposed to control topological spin textures in two-dimensional spintronic devices. Leigh Ann Green Scilight 2021, 341104 (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. To reserve ad space or request further information on e-mail sponsorships, please email adinfo@aip.org or visit scitation.org/advertising.