Quantum Chemistry Topic Alert

Read the latest articles in Quantum Chemistry View in Browser | Forward to a Friend AIP Publishing Topic Alert March 2021 Quantum Chemistry My Settings Sturdy nanoribbons are a cross between a soap bubble and a bulletproof vest  A new strategy for molecular design takes self-assembled materials where they've never gone before. Johanna L. Miller Physics Today 74, 14 (2021) Read the article → Demonstration to Show Resonant Oscillations of a Simple Pendulum Coupled to a Mass-Spring Oscillator  Blane Baker, and Sungjune Park The Physics Teacher 59, 166 (2021) Read the article → 1D chain structure in 1T′-phase 2D transition metal dichalcogenides and their anisotropic electronic structures    Chi Sin Tang, Xinmao Yin, and Andrew T. S. Wee Applied Physics Reviews 8, 011313 (2021) Read the article → Sound resonance practice device based on Arduino UNO to improve the science process skills of high school students  Bambang Heru Iswanto, Oriza Nurwanti, and Esmar Budi AIP Conference Proceedings 2320, 020058 (2021) Read the article → In silico design of a thermal atomic layer etch process of cobalt  Suresh Kondati Natarajan, Michael Nolan, Patrick Theofanis, Charles Mokhtarzadeh, and Scott B. Clendenning Journal of Vacuum Science & Technology A 39, 022603 (2021) Read the article → The effectiveness of guided inquiry learning module containing research result to improve student's technology literacy  Choirus Zakinah, Mohamad Amin, and Betty Lukiati AIP Conference Proceedings 2330, 030039 (2021) Read the article → Nonlinear Bloch wave dynamics in photonic Aharonov–Bohm cages    Nana Chang, Sinan Gundogdu, Daniel Leykam, Dimitris G. Angelakis, SuPeng Kou, Sergej Flach, and Aleksandra Maluckov APL Photonics 6, 030801 (2021) Read the article → Photonic band structure design using persistent homology    Daniel Leykam, and Dimitris G. Angelakis APL Photonics 6, 030802 (2021) Read the article → Transport of coupled particles in rough ratchet driven by Lévy noise  Yao Song, and Lijuan Ning Chaos 31, 033104 (2021) Read the article → Unified mechanism of inverse stochastic resonance for monostability and bistability in Hindmarsh–Rose neuron  Jinjie Zhu Chaos 31, 033119 (2021) Read the article → The curling probe: A numerical and experimental study. Application to the electron density measurements in an ECR plasma thruster  Federico Boni, Julien Jarrige, Victor Désangles, and Tiberiu Minea Review of Scientific Instruments 92, 033507 (2021) Read the article → Comparison of water nanodroplet properties on different graphite-based substrates    Monojoy Goswami, Navin Kumar, Yuzhan Li, Orlando Rios, Damilola O. Akamo, Jason Hirschey, Tim J. LaClair, and Kyle R. Gluesenkamp AIP Advances 11, 035009 (2021) Read the article → Compressed cylindrical shell with a rigid core and a gap    Hung-Chieh Fan Chiang, Hsin-Huei Li, and Tzay-Ming Hong AIP Advances 11, 035012 (2021) Read the article → Anharmonic Raman spectra simulation of crystals from deep neural networks      Honghui Shang, and Haidi Wang AIP Advances 11, 035105 (2021) Read the article → Basis set dependence of 1H–X spin–spin coupling constants in non-empirical pure DFT framework, X = 1H, 13C, 19F, 35Cl: Case of CHCl=CH–CF3 stereoisomers    Olivier Holtomo, Mama Nsangou, and Ousmanou Motapon AIP Advances 11, 035113 (2021) Read the article → Parametric broadening of the molecular vibronic band due to zero-point oscillations and thermal fluctuations of interatomic bonds    Peter Lebedev-Stepanov AIP Advances 11, 035115 (2021) Read the article → Spin injection into vanadium dioxide films from a typical ferromagnetic metal, across the metal–insulator transition of the vanadium dioxide films    Kazuma Tamura, Teruo Kanki, Shun Shirai, Hidekazu Tanaka, Yoshio Teki, and Eiji Shikoh AIP Advances 11, 035120 (2021) Read the article → On the correlation of the magnetic properties with the structural parameters in Fe-doped europium chromite    D. R. Ratkovski, J. M. Marín Ramírez, E. L. T. França, A. Franco, and F. L. A. Machado AIP Advances 11, 035205 (2021) Read the article → Observation of a superparamagnetic breakdown in gadolinium chloride filled double-walled carbon nanotubes    S. Ncube, C. Coleman, E. Flahaut, S. Bhattacharyya, A. R. E. Prinsloo, and C. J. Sheppard AIP Advances 11, 035206 (2021) Read the article → Composition optimization of InAsxSb1−x/AlyIn1−ySb quantum wells for Hall sensors with high sensitivity and high thermal stability    Takashi Manago, Kenji Kasahara, and Ichiro Shibasaki AIP Advances 11, 035213 (2021) Read the article → Asymptotic velocity of relativistic E × B drift    Tatsufumi Nakamura AIP Advances 11, 035303 (2021) Read the article → A multiscale approach for modeling metal laser welding    Khaled Badawy, and Junaidi Syarif AIP Advances 11, 035308 (2021) Read the article → A practical simulation of a hexanitrohexaazaisowurtzitane (CL-20) sphere detonated underwater with the Taylor wave solution and modified Tait parameters  Xi-yu Jia, Shu-shan Wang, Cheng-liang Feng, Jing-xiao Zhang, and Feng Ma Physics of Fluids 33, 036102 (2021) Read the article → Electron properties in thin MoS2 films grown by CVD method  Evgenii Boiakinov, Egor Sharin, Yurii Grigor'ev, Waly Ndiaye, Olivier Heckmann, Christine Richter, and Karol Hricovini AIP Conference Proceedings 2328, 050004 (2021) Read the article → Electronic properties of monolayer graphene doped with nitrogen and boron atoms  Kirill V. Evseev, and Egor P. Sharin AIP Conference Proceedings 2328, 050009 (2021) Read the article → Calculation of the Raman spectra of graphene nanoribbon  Egor P. Sharin, and Vladislav V. Ponomarev AIP Conference Proceedings 2328, 050021 (2021) Read the article → Calculations of electronic absorption spectra of polyciclic aromatic hydrocarbon models of graphene quantum dots  Tamara E. Timofeeva, Marfa N. Egorova, and Aleksandra E. Tomskaya AIP Conference Proceedings 2328, 050022 (2021) Read the article → Molecular dynamics (MD) method and agent-based model (ABM) in simulation of stem cell deposition on the surface with nanopattern: Current development stage of an in-house simulator  Sparisoma Viridi, Suprijadi, Anggraini Barlian, and Damar Rastri Adhika AIP Conference Proceedings 2320, 050043 (2021) Read the article → An ab initio and DFT study of structure and conformers of glycerol  Nasim Yousefpour Navini, S. H. Reza Shojaei, and Sahin Uyaver AIP Conference Proceedings 2334, 070005 (2021) Read the article → Dirac algebra of reduced chiral oscillator  Filiz Çağatay Uçgun AIP Conference Proceedings 2334, 080004 (2021) Read the article → Physics applied to electrochemistry: Tunneling reactions  Kirk H. Bevan, Yee Wei Foong, Javad Shirani, Shuaishuai Yuan, and Sinan Abi Farraj Journal of Applied Physics 129, 090901 (2021) Read the article → CAS without SCF—Why to use CASCI and where to get the orbitals  Benjamin G. Levine, Andrew S. Durden, Michael P. Esch, Fangchun Liang, and Yinan Shu J. Chem. Phys. 154, 090902 (2021) Read the article → Engineering Schottky-to-Ohmic contact transition for 2D metal–semiconductor junctions  Xiang Ding, Yang Zhao, Haiyan Xiao, and Liang Qiao Appl. Phys. Lett. 118, 091601 (2021) Read the article → Thermal conductivity of the n = 1–5 and 10 members of the (SrTiO3)nSrO Ruddlesden–Popper superlattices    Natalie M. Dawley, Ella K. Pek, Che-Hui Lee, Eugene J. Ragasa, Xue Xiong, Kiyoung Lee, Simon R. Phillpot, Aleksandr V. Chernatynskiy, David G. Cahill, and Darrell G. Schlom Appl. Phys. Lett. 118, 091904 (2021) Read the article → Anomalous Hall and Nernst effects in ferrimagnetic Mn4N films: Possible interpretations and prospects for enhancement  Shinji Isogami, Keisuke Masuda, Yoshio Miura, Nagalingam Rajamanickam, and Yuya Sakuraba Appl. Phys. Lett. 118, 092407 (2021) Read the article → Identification of structural phases in ferroelectric hafnium zirconium oxide by density-functional-theory-assisted EXAFS analysis  Mehmet Alper Sahiner, Rory J. Vander Valk, Joshua Steier, Jared Savastano, Stephen Kelty, Bruce Ravel, Joseph C. Woicik, Yohei Ogawa, Kristin Schmidt, Eduard A. Cartier, Jean L. Jordan-Sweet, Christian Lavoie, and Martin M. Frank Appl. Phys. Lett. 118, 092903 (2021) Read the article → Strong interlayer excitons in PtSe2/ZrS2 van der Waals heterobilayer  Longjun Xiang, Qingyun Zhang, and Youqi Ke Appl. Phys. Lett. 118, 093101 (2021) Read the article → Study of SiGeSn/GeSn single quantum well toward high-performance all-group-IV optoelectronics  Grey Abernathy, Yiyin Zhou, Solomon Ojo, Bader Alharthi, Perry C. Grant, Wei Du, Joe Margetis, John Tolle, Andrian Kuchuk, Baohua Li, and Shui-Qing Yu Journal of Applied Physics 129, 093105 (2021) Read the article → Micromagnetic study of sphericity effect in bulk permanent magnets  C. S. Kim, S. L. Ding, J. H. Kim, C. Yun, W. Y. Yang, J. Z. Han, S. Q. Liu, H. L. Du, C. S. Wang, and J. B. Yang Journal of Applied Physics 129, 093901 (2021) Read the article → Superalkali NLi4 anchored on BN sheets for reversible hydrogen storage  Xiang Wang, Hao Qi, Li Ma, and Hongshan Chen Appl. Phys. Lett. 118, 093902 (2021) Read the article → Tailoring the anomalous Hall effect of SrRuO3 thin films by strain: A first principles study  Kartik Samanta, Marjana Ležaić, Stefan Blügel, and Yuriy Mokrousov Journal of Applied Physics 129, 093904 (2021) Read the article → How symmetry-breaking can amplify the magnetosensitivity of dipolarly coupled n-radical systems  Robert H. Keens, Chris Sampson, and Daniel R. Kattnig J. Chem. Phys. 154, 094101 (2021) Read the article → Surface effects on domain switching of a ferroelectric thin film under local mechanical load: A phase-field investigation  Changjun Qi, and Xingzhe Wang Journal of Applied Physics 129, 094101 (2021) Read the article → Path probability ratios for Langevin dynamics—Exact and approximate  S. Kieninger, and B. G. Keller J. Chem. Phys. 154, 094102 (2021) Read the article → Energy natural orbitals    Kazuo Takatsuka, and Yasuki Arasaki J. Chem. Phys. 154, 094103 (2021) Read the article → Electronic transport in molecular junctions: The generalized Kadanoff–Baym ansatz with initial contact and correlations  Riku Tuovinen, Robert van Leeuwen, Enrico Perfetto, and Gianluca Stefanucci J. Chem. Phys. 154, 094104 (2021) Read the article → Exploring and enhancing the accuracy of interior-scaled Perdew–Zunger self-interaction correction  Puskar Bhattarai, Biswajit Santra, Kamal Wagle, Yoh Yamamoto, Rajendra R. Zope, Adrienn Ruzsinszky, Koblar A. Jackson, and John P. Perdew J. Chem. Phys. 154, 094105 (2021) Read the article → Caldeira–Leggett model vs ab initio potential: A vibrational spectroscopy test of water solvation  Alessandro Rognoni, Riccardo Conte, and Michele Ceotto J. Chem. Phys. 154, 094106 (2021) Read the article → First-principles hydration free energies of oxygenated species at water–platinum interfaces  Ryosuke Jinnouchi, Ferenc Karsai, Carla Verdi, and Georg Kresse J. Chem. Phys. 154, 094107 (2021) Read the article → Quantum bath effects on nonequilibrium heat transport in model molecular junctions  Pablo Carpio-Martínez, and Gabriel Hanna J. Chem. Phys. 154, 094108 (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.