Quantum Chemistry Topic Alert

Read the latest articles in Quantum Chemistry View in Browser | Forward to a Friend AIP Publishing Topic Alert March 2022 Quantum Chemistry My Settings Surface dynamics of glasses      Houkuan Tian, Quanyin Xu, Haiyang Zhang, Rodney D. Priestley, and Biao Zuo Applied Physics Reviews 9, 011316 (2022) Read the article → Optical properties of Mo and amorphous MoOx, and application to antireflection coatings for metals  David V. Tsu, Matthias Muehle, Harald Köstenbauer, Christian Linke, and Jörg Winkler Journal of Vacuum Science & Technology B 40, 022209 (2022) Read the article → Output fluctuations minimization of wind integrated hybrid power system using electronic coordinated control of governor and blade  Md. Amzad Hossain, Mehedi Hassan, Ibrahim Mustafa Mehedi, Md. Mustafizur Rahman, Fatema Tuz Zahura, and Md. Rafiqul Islam Sheikh Journal of Renewable and Sustainable Energy 14, 026101 (2022) Read the article → Preface for the special collection commemorating the career of Pat Thiel  Donna A. Chen, Ann Lii-Rosales, and James W. Evans Journal of Vacuum Science & Technology A 40, 031601 (2022) Read the article → Energy dissipation and onset of instabilities in coarse-grained discrete element method on homogeneous cooling systems  Yann Dufresne, Micaël Boulet, and Stéphane Moreau Physics of Fluids 34, 033306 (2022) Read the article → A ReaxFF molecular dynamics study of insulation paper modification by plasma ROS  Haojie Yin, Guoqiang Gao, Yan Yang, Kai Liu, and Guangning Wu Physics of Plasmas 29, 033508 (2022) Read the article → An in situ stretching instrument combined with low field nuclear magnetic resonance (NMR): Rheo-Spin NMR  Zhijie Xia, Yusong Wang, Ke Gong, and Wei Chen Review of Scientific Instruments 93, 033905 (2022) Read the article → Electronic band structure and magnetism of CoFeV0.5Mn0.5Si    Parashu Kharel, Gavin Baker, Matthew Flesche, Adam Ramker, Young Moua, Shah Valloppilly, Paul M. Shand, and Pavel V. Lukashev AIP Advances 12, 035011 (2022) Read the article → Magnetocrystalline anisotropy in V– and Cu–doped Fe16N2    Peter Stoeckl, Przemyslaw Wojciech Swatek, and Jian-Ping Wang AIP Advances 12, 035017 (2022) Read the article → Space charge and trap energy level characteristics of SiC wide bandgap semiconductor    Chi Chen, Xia Wang, Kai Wu, Chuanhui Cheng, Chuang Wang, Yuwei Fu, and Zaiqin Zhang AIP Advances 12, 035017 (2022) Read the article → Effects of ferromagnetic branch structures on coercivity of alnico permanent magnets    Hoyun Won, Yang-Ki Hong, Minyeong Choi, Gary J. Mankey, Jongkook Lee, Taegyu Lee, and Tae Won Lim AIP Advances 12, 035113 (2022) Read the article → Magnetotransport of SrIrO3-based heterostructures    A. K. Jaiswal, R. Schneider, M. Le Tacon, and D. Fuchs AIP Advances 12, 035120 (2022) Read the article → Effects of carbon impurities on the performance of silicon as an anode material for lithium ion batteries: An ab initio study    Stéphane B. Olou'ou Guifo, Jonathan E. Mueller, David Henriques, and Torsten Markus AIP Advances 12, 035315 (2022) Read the article → Fe-Si and its nanocrystallization as soft magnetic phase in SmCo-based nanocomposites    Yu Zhang, Yuqing Li, Weiqiang Liu, Ming Yue, Dongtao Zhang, and Hongguo Zhang AIP Advances 12, 035317 (2022) Read the article → Study on the relationship between surface and dislocation of nanoporous copper under cyclic shear loading      Yufeng Wang, Wenbo Bi, Lei Deng, Xingming Zhang, Jianfeng Tang, and Liang Wang AIP Advances 12, 035318 (2022) Read the article → Experimental investigation of instability of fluid mud layer under surface wave motion  Mohammad Ali Aleebrahim, and Mirmosadegh Jamali Physics of Fluids 34, 036602 (2022) Read the article → Surface diffusion of a glassy discotic organic semiconductor and the surface mobility gradient of molecular glasses  Yuhui Li, Camille Bishop, Kai Cui, J. R. Schmidt, M. D. Ediger, and Lian Yu J. Chem. Phys. 156, 094710 (2022) Read the article → Do not forget the Rydberg orbitals  Jack Simons J. Chem. Phys. 156, 100901 (2022) Read the article → Clarifying the surface dynamics of glass  Highly mobile glass surface could improve materials design for pharmaceuticals, optical fibers, metallic alloys, and nanoscale devices. Chris Patrick Scilight 2022, 101102 (2022) Read the article → Fast long-wavelength exchange spin waves in partially compensated Ga:YIG    T. Böttcher, M. Ruhwedel, K. O. Levchenko, Q. Wang, H. L. Chumak, M. A. Popov, I. V. Zavislyak, C. Dubs, O. Surzhenko, B. Hillebrands, A. V. Chumak, and P. Pirro Appl. Phys. Lett. 120, 102401 (2022) Read the article → Exchange scattering on ultrafast timescales in a ferromagnetic two-sublattice system    Kai Leckron, Alexander Baral, and Hans Christian Schneider Appl. Phys. Lett. 120, 102407 (2022) Read the article → Tunable electronic properties and band alignments of MoSi2N4/GaN and MoSi2N4/ZnO van der Waals heterostructures  Jin Quan Ng, Qingyun Wu, L. K. Ang, and Yee Sin Ang Appl. Phys. Lett. 120, 103101 (2022) Read the article → Combined first-principles-Monte Carlo analysis to evaluate the effect of surface hydrogen on the secondary electron yield of nickel  M. Brown, M. Sanati, and R. P. Joshi Journal of Applied Physics 131, 103301 (2022) Read the article → Magnon polarons in spin Seebeck effect of easy axis antiferromagnets  Huicong Liu, and Ka Shen Journal of Applied Physics 131, 103902 (2022) Read the article → Variational formulation of the bond capacity charge polarization model  Pier Paolo Poier J. Chem. Phys. 156, 104101 (2022) Read the article → State-averaged CASSCF with polarizable continuum model for studying photoreactions in solvents: Energies, analytical nuclear gradients, and non-adiabatic couplings  Chenchen Song J. Chem. Phys. 156, 104102 (2022) Read the article → A power series approximation in symmetry projected coupled cluster theory  Ruiheng Song, Thomas M. Henderson, and Gustavo E. Scuseria J. Chem. Phys. 156, 104105 (2022) Read the article → Origin of thiocyanate spectral shifts in water and organic solvents  Ruoqi Zhao, Joseph C. Shirley, Euihyun Lee, Adam Grofe, Hui Li, Carlos R. Baiz, and Jiali Gao J. Chem. Phys. 156, 104106 (2022) Read the article → Exploring cesium–tellurium phase space via high-throughput calculations beyond semi-local density-functional theory  Holger-Dietrich Saßnick, and Caterina Cocchi J. Chem. Phys. 156, 104108 (2022) Read the article → High-resolution vibronic spectroscopy of a single molecule embedded in a crystal    Johannes Zirkelbach, Masoud Mirzaei, Irena Deperasińska, Boleslaw Kozankiewicz, Burak Gurlek, Alexey Shkarin, Tobias Utikal, Stephan Götzinger, and Vahid Sandoghdar J. Chem. Phys. 156, 104301 (2022) Read the article → Rotational excitation of CO2 induced by He: New potential energy surface and scattering calculations  A. Godard Paluet, F. Thibault, and F. Lique J. Chem. Phys. 156, 104303 (2022) Read the article → Resonant electron capture by 5-Br-2′-deoxyuridine  P. V. Shchukin, M. V. Muftakhov, R. V. Khatymov, and R. F. Tuktarov J. Chem. Phys. 156, 104304 (2022) Read the article → The increment of the temperature of maximum density of water by addition of small amounts of tert-butanol: Experimental data and microscopic description revisited  D. González-Salgado, J. Troncoso, and E. Lomba J. Chem. Phys. 156, 104502 (2022) Read the article → Perturbation theories for fluids with short-ranged attractive forces: A case study of the Lennard-Jones spline fluid    Thijs van Westen, Morten Hammer, Bjørn Hafskjold, Ailo Aasen, Joachim Gross, and Øivind Wilhelmsen J. Chem. Phys. 156, 104504 (2022) Read the article → Microscopic EDL structures and charge–potential relation on stepped platinum surface: Insights from the ab initio molecular dynamics simulations  Peng Li, Yuwen Liu, and Shengli Chen J. Chem. Phys. 156, 104701 (2022) Read the article → Formation and local structure of framework Al Lewis sites in beta zeolites  Libor Kobera, Jiri Dedecek, Petr Klein, Edyta Tabor, Jiri Brus, Anna V. Fishchuk, and Stepan Sklenak J. Chem. Phys. 156, 104702 (2022) Read the article → Explaining the structure sensitivity of Pt and Rh for aqueous-phase hydrogenation of phenol  Isaiah Barth, James Akinola, Jonathan Lee, Oliver Y. Gutiérrez, Udishnu Sanyal, Nirala Singh, and Bryan R. Goldsmith J. Chem. Phys. 156, 104703 (2022) Read the article → Electronic relaxation of photoexcited open and closed shell adsorbates on semiconductors: Ag and Ag2 on TiO2  Tijo Vazhappilly, Yulun Han, Dmitri S. Kilin, and David A. Micha J. Chem. Phys. 156, 104705 (2022) Read the article → The effect of explicit counterion binding on the transference number of polyelectrolyte solutions  T. K. Lytle, and A. Yethiraj J. Chem. Phys. 156, 104901 (2022) Read the article → The fate of shear-oscillated amorphous solids  Chen Liu, Ezequiel E. Ferrero, Eduardo A. Jagla, Kirsten Martens, Alberto Rosso, and Laurent Talon J. Chem. Phys. 156, 104902 (2022) Read the article → Effects of interstitial water and alkali cations on the expansion, intercalation potential, and orbital coupling of nickel hexacyanoferrate from first principles  Sizhe Liu, and Kyle C. Smith Journal of Applied Physics 131, 105101 (2022) Read the article → Energy transfer fluctuation observed by single-molecule spectroscopy of red-shifted bacteriochlorophyll in the homodimeric photosynthetic reaction center  Toru Kondo, Risa Mutoh, Shun Arai, Genji Kurisu, Hirozo Oh-oka, Satoru Fujiyoshi, and Michio Matsushita J. Chem. Phys. 156, 105102 (2022) Read the article → Tuning of Curie temperature in Mn5Ge3 films  Yufang Xie, Magdalena Birowska, Hannes Simon Funk, Inga Anita Fischer, Daniel Schwarz, Jörg Schulze, Yu-Jia Zeng, Manfred Helm, Shengqiang Zhou, and Slawomir Prucnal Journal of Applied Physics 131, 105102 (2022) Read the article → Efficient defect control of zinc vacancy in undoped ZnO microtubes for optoelectronic applications  Yongman Pan, Yinzhou Yan, Qiang Wang, Lixue Yang, Xuegang Zhang, Long Tang, Cheng Xing, Fei Chen, and Yijian Jiang Journal of Applied Physics 131, 105105 (2022) Read the article → Site-selective dynamics of ligand-free and ligand-bound azidolysozyme  Seyedeh Maryam Salehi, and Markus Meuwly J. Chem. Phys. 156, 105105 (2022) Read the article → Insulin aspart dimer dissociation in water  Yagya Chaudhary, and Prabhakar Bhimalapuram J. Chem. Phys. 156, 105106 (2022) Read the article → Mist chemical vapor deposition of Al1−xTixOy thin films and their application to a high dielectric material  Arifuzzaman Rajib, Abdul Kuddus, Kojun Yokoyama, Tomohiro Shida, Keiji Ueno, and Hajime Shirai Journal of Applied Physics 131, 105301 (2022) Read the article → Using maximum likelihood estimation approach to adjust parameters of multiphase equations of state: Molybdenum as an example  G. Robert, V. Dubois, and P. Legrand Journal of Applied Physics 131, 105901 (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. 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