Quantum Chemistry Topic Alert

Read the latest articles in Quantum Chemistry View in Browser | Forward to a Friend AIP Publishing Topic Alert July 2021 Quantum Chemistry My Settings Electronic structure and physical properties of hybrid heterostructures Sr2CrOsO6/BaTiO3  V. N. Antonov, and L. V. Bekenov Low Temperature Physics 47, 565 (2021) Read the article → Magnetic susceptibility of crystals with crossing of their band-contact lines  G. P. Mikitik, and Yu. V. Sharlai Low Temperature Physics 47, 605 (2021) Read the article → Relaxation of zone charge carriers and luminescence in crystals excited by powerful electron-beam and femtosecond laser radiation  V. I. Baryshnikov, O. L. Nikonovich, O. V. Goreva, and T. A. Kolesnikova AIP Conference Proceedings 2392, 020001 (2021) Read the article → Primary electron analysis to improve the negative ion uniformity toward ITER-class long pulse and high-power negative ion sources  Yuji Shimabukuro, Masahiro Ichikawa, Masamichi Murayama, Glynnis Saquilayan, Atsushi Kojima, Hiroyuki Tobari, and Mieko Kashiwagi AIP Conference Proceedings 2373, 030005 (2021) Read the article → Observation of spatially resolved Rashba states on the surface of CH3NH3PbBr3 single crystals    Zhengjie Huang, Shai R. Vardeny, Tonghui Wang, Zeeshan Ahmad, Ashish Chanana, Eric Vetter, Shijia Yang, Xiaojie Liu, Giulia Galli, Aram Amassian, Z. Valy Vardeny, and Dali Sun Applied Physics Reviews 8, 031408 (2021) Read the article → The first-principle calculation of F-centers in BaXY crystals (X, Y - F, Cl, Br, I)  A. Myasnikova, A. Bogdanov, and R. Shendrik AIP Conference Proceedings 2392, 040002 (2021) Read the article → Fluorescent carbon quantum dots formed from glucose solution by microplasma treatment  A. A. Tyutrin, R. Wang, and E. F. Martynovich AIP Conference Proceedings 2392, 040006 (2021) Read the article → High-throughput computational design for 2D van der Waals functional heterostructures: Fragility of Anderson's rule and beyond    Yuan Si, Hong-Yu Wu, Ke Yang, Ji-Chun Lian, Tao Huang, Wei-Qing Huang, Wang-Yu Hu, and Gui-Fang Huang Appl. Phys. Lett. 119, 043102 (2021) Read the article → Superconductivity in highly doped diamond: Role of group III and V impurities  F. J. R. Costa, and J. S. de Almeida Journal of Applied Physics 130, 043903 (2021) Read the article → Conservation laws in coupled cluster dynamics at finite temperature    Ruojing Peng, Alec F. White, Huanchen Zhai, and Garnet Kin-Lic Chan J. Chem. Phys. 155, 044103 (2021) Read the article → Constructing tensor network influence functionals for general quantum dynamics  Erika Ye, and Garnet Kin-Lic Chan J. Chem. Phys. 155, 044104 (2021) Read the article → Analytical gradients for core-excited states in the algebraic diagrammatic construction (ADC) framework    Iulia Emilia Brumboiu, Dirk R. Rehn, Andreas Dreuw, Young Min Rhee, and Patrick Norman J. Chem. Phys. 155, 044106 (2021) Read the article → Ab initio multi-level layered elongation method and its application to local interaction analysis between DNA bulge and ligand molecules  Keisuke Hisama, Yuuichi Orimoto, Anna Pomogaeva, Kazuhiko Nakatani, and Yuriko Aoki J. Chem. Phys. 155, 044110 (2021) Read the article → Femtosecond dynamics and coherence of ionic retro-Diels–Alder reactions  Shuai Li, Bethany Jochim, James E. Jackson, and Marcos Dantus J. Chem. Phys. 155, 044303 (2021) Read the article → Structure, energy, and bonding in anionic water tetramers obtained by exhaustive search  Norberto Moreno, Albeiro Restrepo, and Cacier Z. Hadad J. Chem. Phys. 155, 044304 (2021) Read the article → Effect of the metallicity on the capacitance of gold–aqueous sodium chloride interfaces  Alessandra Serva, Laura Scalfi, Benjamin Rotenberg, and Mathieu Salanne J. Chem. Phys. 155, 044703 (2021) Read the article → The structure of CO2 and CH4 at the interface of a poly(urethane urea) oligomer model from the microscopic point of view  Flavia Cristina Assis Silva, Tuanan da Costa Lourenço, David van der Spoel, Santiago Aparicio, Rodrigo Azevedo dos Reis, and Luciano T. Costa J. Chem. Phys. 155, 044704 (2021) Read the article → The trapping of methane on Ir(111): A first-principles quantum study  Bret Jackson J. Chem. Phys. 155, 044705 (2021) Read the article → Edge premelting of two-dimensional ices  Hu Qiu, Wen Zhao, Wanqi Zhou, and Wanlin Guo J. Chem. Phys. 155, 044706 (2021) Read the article → Phase behavior of a binary mixture of patchy colloids: Effect of particle size and gravity  Rodrigo Braz Teixeira, Daniel de las Heras, José Maria Tavares, and Margarida M. Telo da Gama J. Chem. Phys. 155, 044903 (2021) Read the article → Improving the accuracy and convergence of drug permeation simulations via machine-learned collective variables  Fikret Aydin, Aleksander E. P. Durumeric, Gabriel C. A. da Hora, John D. M. Nguyen, Myong In Oh, and Jessica M. J. Swanson J. Chem. Phys. 155, 045101 (2021) Read the article → Preparation and electronic structure of the WSe2/graphene/NiSex/Ni(111) heterostructure    Roberto Sant, Mattia Cattelan, Stefano Agnoli, and Gaetano Granozzi Journal of Vacuum Science & Technology A 39, 052201 (2021) Read the article → Interstitial lithium doping in SrTiO3    Navaratnarajah Kuganathan, Federico Baiutti, Alex Morata, Albert Tarancon, and Alexander Chroneos AIP Advances 11, 075029 (2021) Read the article → Phase shifter based on voltage-controlled magnetic domain walls      Xiao Zhang, Chen Zhang, Chonglei Sun, Xiao Xu, Liuge Du, Jifang Tao, and Jia Zhao AIP Advances 11, 075225 (2021) Read the article → Numerical modeling of electron confinement in a multicusp magnetic trap  V. S. Klenov AIP Conference Proceedings 2373, 080007 (2021) Read the article → Design and analysis of two dimensional electromagnetic band gap antenna for WIFI applications  B. Premalatha, G. Srikanth, P. Raveendra Babu, and Mahesh V. Sonth AIP Conference Proceedings 2358, 090005 (2021) Read the article → A water model study on the impact of blockage of port on meniscus variation by varying numerous parameters  Manish Kumar, Apurba Kumar Roy, and Praveen Mishra AIP Conference Proceedings 2358, 120003 (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. 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