Quantum Chemistry Topic Alert

Read the latest articles in Quantum Chemistry View in Browser | Forward to a Friend AIP Publishing Topic Alert April 2022 Quantum Chemistry My Settings Quantum mechanical studies of 2D nanobiohybrids (Review Article)  S. G. Stepanian, and L. Adamowicz Low Temperature Physics 48, 278 (2022) Read the article → Counterion atmosphere around DNA double helix: trapping of counterions at the nanoscale  Sergiy Perepelytsya, and Oleksii Zdorevskyi Low Temperature Physics 48, 293 (2022) Read the article → Tautomers of 6-thiopurine in low-temperature Ar matrices: FTIR spectroscopy analysis and quantum mechanical calculations  A. Yu. Ivanov, S. G. Stepanian, V. A. Karachevtsev, and L. Adamovicz Low Temperature Physics 48, 301 (2022) Read the article → Nano-engineering the evolution of skyrmion crystal in synthetic antiferromagnets    Mangyuan Ma, Ke Huang, Yong Li, Sihua Li, Qiyuan Feng, Calvin Ching Ian Ang, Tianli Jin, Yalin Lu, Qingyou Lu, Wen Siang Lew, Fusheng Ma, and X. Renshaw Wang Applied Physics Reviews 9, 021404 (2022) Read the article → Generative design, manufacturing, and molecular modeling of 3D architected materials based on natural language input    Yu-Chuan Hsu, Zhenze Yang, and Markus J. Buehler APL Materials 10, 041107 (2022) Read the article → White noise space analysis and multiplicative change of measures  Daniel Alpay, Palle Jorgensen, and Motke Porat J. Math. Phys. 63, 042102 (2022) Read the article → Intercalation of metal–aluminum layered double hydroxides with anionic surfactants: Experimental and density functional theory studies    Emem David, Chinyere Ayi Anyama, Ayi A. Ayi, Hitler Louis, and Charles O. Oseghale AIP Advances 12, 045217 (2022) Read the article → Tunable electronic structure in twisted WTe2/WSe2 heterojunction bilayer      Zi-Si Chen, Wen-Ti Guo, Jiefeng Ye, Kehua Zhong, Jian-Min Zhang, and Zhigao Huang AIP Advances 12, 045315 (2022) Read the article → Characterization methods for defects and devices in silicon carbide    M. E. Bathen, C. T.-K. Lew, J. Woerle, C. Dorfer, U. Grossner, S. Castelletto, and B. C. Johnson Journal of Applied Physics 131, 140903 (2022) Read the article → Unraveling multi-state molecular dynamics in single-molecule FRET experiments. I. Theory of FRET-lines      Anders Barth, Oleg Opanasyuk, Thomas-Otavio Peulen, Suren Felekyan, Stanislav Kalinin, Hugo Sanabria, and Claus A. M. Seidel J. Chem. Phys. 156, 141501 (2022) Read the article → Tuning of the Dzyaloshinskii–Moriya interaction by He+ ion irradiation  Hans T. Nembach, Emilie Jué, Kay Poetzger, Juergen Fassbender, Thomas J. Silva, and Justin M. Shaw Journal of Applied Physics 131, 143901 (2022) Read the article → Exploring the accuracy and usefulness of semi-empirically scaled ADC schemes by blending second and third order terms  Marco Bauer, Adrian L. Dempwolff, Dirk R. Rehn, and Andreas Dreuw J. Chem. Phys. 156, 144101 (2022) Read the article → Selection of representative structures from large biomolecular ensembles    Arthur Voronin, and Alexander Schug J. Chem. Phys. 156, 144102 (2022) Read the article → Graph neural networks accelerated molecular dynamics  Zijie Li, Kazem Meidani, Prakarsh Yadav, and Amir Barati Farimani J. Chem. Phys. 156, 144103 (2022) Read the article → Investigating the high field transport properties of Janus WSSe and MoSSe by DFT analysis and Monte Carlo simulations    Hsiu-Chi Pai, and Yuh-Renn Wu Journal of Applied Physics 131, 144303 (2022) Read the article → Radiative relaxation in isolated large carbon clusters: Vibrational emission versus recurrent fluorescence  O. Lacinbala, F. Calvo, C. Dubosq, C. Falvo, P. Parneix, M. Rapacioli, A. Simon, and T. Pino J. Chem. Phys. 156, 144305 (2022) Read the article → Ultrafast infrared transient absorption spectroscopy of gas-phase Ni(CO)4 photodissociation at 261 nm  Neil C. Cole-Filipiak, Jan Troß, Paul Schrader, Laura M. McCaslin, and Krupa Ramasesha J. Chem. Phys. 156, 144306 (2022) Read the article → The He– complex. I. Vibration-rotation-tunneling states and transition probabilities  Michael E. Harding, Filippo Lipparini, Jürgen Gauss, Dieter Gerlich, Stephan Schlemmer, and Ad van der Avoird J. Chem. Phys. 156, 144307 (2022) Read the article → The He– complex. II. Infrared predissociation spectrum and energy term diagram  Thomas Salomon, Stefan Brackertz, Oskar Asvany, Igor Savić, Dieter Gerlich, Michael E. Harding, Filippo Lipparini, Jürgen Gauss, Ad van der Avoird, and Stephan Schlemmer J. Chem. Phys. 156, 144308 (2022) Read the article → Atomistic simulation framework for molten salt vapor–liquid equilibrium prediction and its application to NaCl  Leann Tran, Jiří Škvára, and William R. Smith J. Chem. Phys. 156, 144501 (2022) Read the article → The binding of atomic hydrogen on graphene from density functional theory and diffusion Monte Carlo calculations  Amanda Dumi, Shiv Upadhyay, Leonardo Bernasconi, Hyeondeok Shin, Anouar Benali, and Kenneth D. Jordan J. Chem. Phys. 156, 144702 (2022) Read the article → Nascent structure memory erased in polymer stretching  Wen Luo, Yihuan Yu, Jiping Wang, and Wenbing Hu J. Chem. Phys. 156, 144904 (2022) Read the article → Origin of strong Coulomb interactions in borophene: First-principles Wannier function analysis  D. P. Rai, and C. E. Ekuma Journal of Applied Physics 131, 145105 (2022) Read the article → Investigation of veryintenseD3-band emission in multi-crystalline silicon wafers using electron microscopy and hyperspectral photoluminescence imaging    Annett Thøgersen, Ingvild J. T. Jensen, Joachim S. Graff, Inga Gudem Ringdalen, Patricia Almeida Carvalho, Torbjørn Mehl, Junjie Zhu, Ingunn Burud, Espen Olsen, and Rune Søndenå Journal of Applied Physics 131, 145703 (2022) Read the article → N2, NO, and O2 molecules in LiGaO2 in both Ga and Li sites and their relation to the vacancies  Klichchupong Dabsamut, Adisak Boonchun, and Walter R. L. Lambrecht Journal of Applied Physics 131, 145705 (2022) Read the article → On the transition from weak to strong shock response    Neil K. Bourne, and Freya L. Bourne Journal of Applied Physics 131, 145901 (2022) Read the article → Determining the atom number from detection noise in a one-dimensional optical lattice clock    Xiaotong Lu, Jingjing Xia, Benquan Lu, Yebing Wang, Tao Wang, and Hong Chang Appl. Phys. Lett. 120, 151104 (2022) Read the article → Strong quantum-confined excitation and emission from violet phosphorus quantum dots  Y. W. Zhan, K. Yan, J. H. Wu, H. G. Zhu, J. Chen, S. L. Tang, Z. Y. Zhang, and X. L. Wu Appl. Phys. Lett. 120, 151904 (2022) Read the article → Parametrically driven THz magnon-pairs: Predictions toward ultimately fast and minimally dissipative switching  G. Fabiani, and J. H. Mentink Appl. Phys. Lett. 120, 152402 (2022) Read the article → Bandgap tuning, high electrical conductivity, and room-temperature ferromagnetism in La- and V-doped SrSnO3 epitaxial films  Li Zhao, Haozhe Li, Kai Lv, Haifeng Wang, and Qinzhuang Liu Appl. Phys. Lett. 120, 153101 (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.