Quantum Chemistry Topic Alert

Read the latest articles in Quantum Chemistry View in Browser AIP Publishing Topic Alert February 2024 Quantum Chemistry MY SETTINGS > An Entertaining Resonance Experiment with Just Two Spring Scales  Yajun Wei Phys. Teach. 62, 90–92 (2024) Read the article → Recent developments in low-dimensional heterostructures of halide perovskites and metal chalcogenides as emergent materials: Fundamental, implementation, and outlook  Pramitha Yuniar Diah Maulida,Sri Hartati,Yuliar Firdaus,Anjar Taufik Hidayat,Lina Jaya Diguna,Dominik Kowal,Annalisa Bruno,Daniele Cortecchia,Arramel Arramel,Muhammad Danang Birowosuto Chem. Phys. Rev. 5, 011303 (2024) Read the article → Optical properties of semiconductor nanoparticles doped with 3d and 4f block elements  Madhumita Bhar,Nayan Bhunia,Gouranga H. Debnath,David H. Waldeck,Prasun Mukherjee Chem. Phys. Rev. 5, 011306 (2024) Read the article → Grain boundaries in polycrystalline materials for energy applications: First principles modeling and electron microscopy    J. Quirk,M. Rothmann,W. Li,D. Abou-Ras,K. P. McKenna Appl. Phys. Rev. 11, 011308 (2024) Read the article → Strain-controlled oxygen vacancy for robust ferroelectric BiSmFe2O6-δ double-perovskite epitaxial thin films  Jie Tu,Yue-Wen Fang,Yue Lu,Hangren Li,Guoqiang Xi,Jiaqi Ding,Xudong Liu,Xiuqiao Liu,Qianqian Yang,Jianjun Tian,Linxing Zhang Appl. Phys. Rev. 11, 011413 (2024) Read the article → How adsorbed proteins at solid interfaces impact the droplet propagation through micro capillaries    P. Giefer,A. Heyse,S. Drusch,U. Fritsching Physics of Fluids 36, 012136 (2024) Read the article → Tungstoborate heteropolyacid-catalyzed lignin liquefaction: Product yield and component distribution  Min Chen,Jing Lou,Yang Zhang,Lu Li,Yan Li,Xin-an Xie J. Renewable Sustainable Energy 16, 013101 (2024) Read the article → BioCARS: Synchrotron facility for probing structural dynamics of biological macromolecules    Robert W. Henning,Irina Kosheleva,Vukica Šrajer,In-Sik Kim,Eric Zoellner,Rama Ranganathan Struct. Dyn. 11, 014301 (2024) Read the article → Influence of microwater on the decomposition of SF6/N2 gas mixture insulating media in overheating faults    Haoxin Chen (陈昊鑫),陈昊鑫,Xiaosong Zeng (曾小松),曾小松,Yanfeng Xiao (肖燕凤),肖燕凤,Haotian Li (李昊天),李昊天,Qiang Yao (姚强),姚强,Fuping Zeng (曾福平),曾福平 AIP Advances 14, 015154 (2024) Read the article → On the arbitrary amplitude ion-acoustic structures in an anisotropic non-Maxwellian electron–positron–ion magnetoplasma  Almas,Aljawhara H. Almuqrin,Ata-ur- Rahman,S. Neelam Naeem,R. T. Matoog,Sherif M. E. Ismaeel,S. A. El-Tantawy Physics of Fluids 36, 015155 (2024) Read the article → Optical and antibacterial activity analysis of pure, Fe-doped, and glucose-capped transparent semiconducting nanoparticles of cadmium and zinc oxides    D. Parajuli,N. Murali,P. S. V. Shanmukhi,K. Samatha AIP Advances 14, 015161 (2024) Read the article → Investigating lipid bilayer self-assembly and formation of ripple phase: Insights from a coarse-grained implicit solvent model    Biplab Bawali,Alokmay Datta,Jayashree Saha AIP Advances 14, 015162 (2024) Read the article → Fast and accurate transient simulation of magnetic gears    Alok Sahoo,V. S. S. Pavan Kumar Hari AIP Advances 14, 015344 (2024) Read the article → Search for states with enhanced radii in 20Ne  Alla Demyanova,Andrey Danilov,Viktar Starastsin,Sergey Goncharov,Tatiana Leonova AIP Conf. Proc. 3020, 020001 (2024) Read the article → Temperature and bias voltage dependences of magnetic tunnel junction with FeAlSi electrode    Shoma Akamatsu,Byung Hun Lee,Yasen Hou,Masakiyo Tsunoda,Mikihiko Oogane,Geoffrey S. D. Beach,Jagadeesh S. Moodera APL Mater. 12, 021101 (2024) Read the article → Controllable arrangement of magnetic skyrmions by strain regulation    Yunhong Zhao,Lan Shang,Shengbin Shi,Jiajun Sun,Jie Wang APL Mater. 12, 021103 (2024) Read the article → Strain-tuned optical properties of bilayer silicon at midinfrared wavelengths  K. Vishal,Z. H. Ji,Y. Zhuang J. Vac. Sci. Technol. B 42, 022201 (2024) Read the article → Composition dependence of intrinsic surface states and Fermi-level pinning at ternary AlxGa1−xN m-plane surfaces    Lars Freter,Liverios Lymperakis,Michael Schnedler,Holger Eisele,Lei Jin,Jianxun Liu,Qian Sun,Rafal E. Dunin-Borkowski,Philipp Ebert J. Vac. Sci. Technol. A 42, 023202 (2024) Read the article → Experimental evidence for ultrashort-lived spin polarons in EuSe    S. C. P. van Kooten,A. B. Henriques AIP Advances 14, 025006 (2024) Read the article → Study of grain-patterned and highly ordered L10-FePt HAMR media using reactive molecular dynamics method    Jianxin Zhu,Jian-Ping Wang AIP Advances 14, 025302 (2024) Read the article → On the thermodynamics of plasticity during quasi-isentropic compression of metallic glass    Kaiguo Chen,Bo Chen,Yinan Cui,Yuying Yu,Jidong Yu,Huayun Geng,Dongdong Kang,Jianhua Wu,Yao Shen,Jiayu Dai Matter Radiat. Extremes 9, 027802 (2024) Read the article → The experimental and model studies on lipid membranes: The coarse-grained MD-simulations of deformed vesicles  Kholmirzo T. Kholmurodov,Ermuhammad B. Dushanov,Olexandr Ivankov,Tatiana N. Murugova,Elena V. Ermakova,Dina R. Badreeva,Alexander I. Kuklin,Norbert Kučerka AIP Conf. Proc. 3020, 030004 (2024) Read the article → Prediction of stability constants of metal–ligand complexes by machine learning for the design of ligands with optimal metal ion selectivity  Federico Zahariev,Tamalika Ash,Erandika Karunaratne,Erin Stender,Mark S. Gordon,Theresa L. Windus,Marilú Pérez García J. Chem. Phys. 160, 042502 (2024) Read the article → Huge mobility difference between the neutral and charged steps on 180° domain walls of PbTiO3 by first-principles calculations  Zhong Fang,Yu-Jia Wang,Yun-Long Tang,Yin-Lian Zhu,Xiu-Liang Ma J. Appl. Phys. 135, 044104 (2024) Read the article → Geometrical decomposition of nonadiabatic interactions to collective coordinates in many-dimensional and many-state mixed fast–slow dynamics  Kazuo Takatsuka J. Chem. Phys. 160, 044112 (2024) Read the article → X-ray absorption spectroscopy and theoretical investigations of the effect of extended ligands in potassium organic matter interaction  Jocelyn A. Richardson,Hoshin Kim,Joshua J. Kas,Xiao You,Amity Andersen,Bojana Ginovska,Arunima Bhattacharjee,Ritimukta Sarangi J. Chem. Phys. 160, 044114 (2024) Read the article → Second quantization-based symmetry-adapted perturbation theory: Generalizing exchange beyond single electron pair approximation    Bartosz Tyrcha,Filip Brzęk,Piotr S. Żuchowski J. Chem. Phys. 160, 044118 (2024) Read the article → Estimation of Heisenberg exchange interaction in rigid photoexcited chromophore–radical compound by transient EPR  Yuri E. Kandrashkin J. Chem. Phys. 160, 044306 (2024) Read the article → Photoelectron velocity map imaging spectroscopy of group 14 elements and iron tetracarbonyl anionic clusters MFe(CO)4− (M = Si, Ge, Sn)  Bangmin Ju,Ziheng Zhang,Xiangtao Kong,Jinghan Zou,Gang Li,Hua Xie,Ling Jiang J. Chem. Phys. 160, 044307 (2024) Read the article → Solute interaction-driven and solvent interaction-driven liquid–liquid phase separation induced by molecular size difference  Yuya Iida,Shotaro Hiraide,Minoru T. Miyahara,Satoshi Watanabe J. Chem. Phys. 160, 044504 (2024) Read the article → Fast crystal growth in deeply undercooled ZrTi melts  Zhihuang Yan,Feiqi Huang,Yanxue Wu,Huashan Liu,Hailong Peng J. Chem. Phys. 160, 044505 (2024) Read the article → Ionomer structure and component transport in the cathode catalyst layer of PEM fuel cells: A molecular dynamics study  Yichao Huang,Panagiotis E. Theodorakis,Zhen Zeng,Tianyou Wang,Zhizhao Che J. Chem. Phys. 160, 044910 (2024) Read the article → Solute-enhanced twin boundary migration in CuAg alloy  Dengke Chen,Yin Zhang,Shuozhi Xu J. Appl. Phys. 135, 045104 (2024) Read the article → Sampling the reciprocal Coulomb potential in finite anisotropic cells    Tobias Schäfer,William Z. Van Benschoten,James J. Shepherd,Andreas Grüneis J. Chem. Phys. 160, 051101 (2024) Read the article → Observation of enhanced WSe2 exciton–exciton annihilation in WSe2/Gr/hBN heterostructure  Chen Wang,Yu Chen,Kaiwen Sun,Wei Wang,Ruihua Pu,Xian Lin,Weimin Liu,Guohong Ma Appl. Phys. Lett. 124, 051106 (2024) Read the article → Navigating the free energy landscapes of COVID variants  Values that characterize the binding between virus and host may be able to predict transmission rates and inform the treatment of SARS-CoV-2 variants. Chris Patrick Scilight 2024, 051107 (2024) Read the article → Nodal phases in non-Hermitian wallpaper crystals    J. Lukas K. König,Felix Herber,Emil J. Bergholtz Appl. Phys. Lett. 124, 051109 (2024) Read the article → Self-rectifying resistive switching in MAPbI3-based memristor device  Phu-Quan Pham,Truc-Quyen Thi Vo,Duy Khanh Le,Chuong Thanh Huynh,Tung Thanh Ngo,Phuong Tuyet Nguyen,Anh Tuan Thanh Pham,Nam Hoang Vu,Thang Bach Phan,Yoshiyuki Kawazoe,Ngoc Kim Pham Appl. Phys. Lett. 124, 051601 (2024) Read the article → Polarization-insensitive and polarization-controlled dual-band third-harmonic generation in silicon metasurfaces driven by quasi-bound states in the continuum  Meng Qin,Gangao Wei,Hangsheng Xu,Ruize Ma,Hongju Li,Weiqing Gao,Jianqiang Liu,Feng Wu Appl. Phys. Lett. 124, 051703 (2024) Read the article → Exploring charge hopping transport in amorphous HfO2: An approach combing ab initio methods and model Hamiltonian  Youssef Hirchaou,Benoît Sklénard,Wolfgang Goes,Philippe Blaise,François Triozon,Jing Li Appl. Phys. Lett. 124, 052108 (2024) Read the article → Electronic characteristics of the two-dimensional van der Waals ferroelectric heterostructures  Yu-Fei Lang,Daifeng Zou,Ying Xu,Shaolong Jiang,Yu-Qing Zhao,Yee-Sin Ang Appl. Phys. Lett. 124, 052903 (2024) Read the article → Self-absorption and investigation of excited carrier dynamics in two-dimensional perovskite scintillator  Weipeng Yan,Baojun Duan,Yan Song,Guzhou Song,Jiming Ma,Yang Li,Binkang Li,Yucheng Liu Appl. Phys. Lett. 124, 053101 (2024) Read the article → Bias-independent subthreshold swing in ballistic cold-source field-effect transistors by drain density-of-states engineering  Kunyi Liu,Fei Lu,Yuan Li Appl. Phys. Lett. 124, 053504 (2024) Read the article → Temperature-induced suppression of structural disproportionation in paramagnetic quantum materials  Himanshu Joshi,Mateusz Wlazło,Harshan Reddy Gopidi,Oleksandr I. Malyi J. Appl. Phys. 135, 053901 (2024) Read the article → Nonadiabatic dynamics with classical trajectories: The problem of an initial coherent superposition of electronic states  Evaristo Villaseco Arribas,Neepa T. Maitra,Federica Agostini J. Chem. Phys. 160, 054102 (2024) Read the article → Phase transitions in HfO2 probed by first-principles computations  Maggie Kingsland,S. Lisenkov,Sina Najmaei,I. Ponomareva J. Appl. Phys. 135, 054102 (2024) Read the article → Diffusion Monte Carlo method for barrier heights of multiple proton exchanges and complexation energies in small water, ammonia, and hydrogen fluoride clusters  Xiaojun Zhou,Zhiru Huang,Xiao He J. Chem. Phys. 160, 054103 (2024) Read the article → Total angular momentum conservation in Ehrenfest dynamics with a truncated basis of adiabatic states  Zhen Tao,Xuezhi Bian,Yanze Wu,Jonathan Rawlinson,Robert G. Littlejohn,Joseph E. Subotnik J. Chem. Phys. 160, 054104 (2024) Read the article → Surveying the energy landscape of coarse-grained mappings  Katherine M. Kidder,M. Scott Shell,W. G. Noid J. Chem. Phys. 160, 054105 (2024) Read the article → Controlling the symmetry breaking charge transfer extent in excited quadrupolar molecules by tuning the locally excited state  Tatyana V. Mikhailova,Anatoly I. Ivanov J. Chem. Phys. 160, 054302 (2024) Read the article → More Articles Related to this Topic→ Follow us on social media Copyright © 2024 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 AIP Publishing. 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@aip.org. 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