Quantum Chemistry Topic Alert

Read the latest articles in Quantum Chemistry View in Browser AIP Publishing Topic Alert April 2023 Quantum Chemistry MY SETTINGS > Ion transport phenomena in electrode materials    Jing Wen, Xinzhi Ma, Lu Li, Xitian Zhang, and Bin Wang Chem. Phys. Rev. 4, 021302 (2023) Read the article → Addressable microfluidics technology for non-sacrificial analysis of biomaterial implants in vivo  Minh Nguyen, Anh Tong, Mark Volosov, Shreya Madhavarapu, Joseph Freeman, and Roman Voronov Biomicrofluidics 17, 024103 (2023) Read the article → Room-temperature electric field-induced out-of-plane ferroelectric polarization in strain-free freestanding 2D SrTiO3 membranes    Yueying Zhang, Jiaming Li, Ke Yang, Fangyuan Zheng, Yuqing Zhou, Yuguo Zhang, Yupeng Hui, Yue-Qi Wang, Jiang Zhu, Jincheng Zhang, Yue Hao, Ming Yang, Tao Li, Jiong Zhao, and Haijiao Harsan Ma APL Materials 11, 041103 (2023) Read the article → TEXplorer.org: Thermoelectric material properties data platform for experimental and first-principles calculation results    Yea-Lee Lee, Hyungseok Lee, Seunghun Jang, Jeongho Shin, Taeshik Kim, Sejin Byun, In Chung, Jino Im, and Hyunju Chang APL Materials 11, 041111 (2023) Read the article → Observation of charge-to-spin conversion with giant efficiency at Ni0.8Fe0.2/Bi2WO6 interface    Saikat Das, Satoshi Sugimoto, Varun Kumar Kushwaha, Yusuke Kozuka, and Shinya Kasai APL Materials 11, 041113 (2023) Read the article → Transportation and deformation of high-speed aluminum nanoparticles in inert gas with molecular dynamics study  Zhi-Qiang Hu, Jian-Li Shao, Peng-Wan Chen, and Rui Liu Physics of Fluids 35, 042004 (2023) Read the article → Entrance loss of capillary flow in narrow slit nanochannels  Runfeng Zhou, Zhiling Qiu, Chengzhen Sun, and Bofeng Bai Physics of Fluids 35, 042005 (2023) Read the article → Electro-osmotic flow in different phosphorus nanochannels  S. M. Kazem Manzoorolajdad, Hossein Hamzehpour, and Jalal Sarabadani Physics of Fluids 35, 042006 (2023) Read the article → Dynamics of electrified liquid metal surface using shallow water model    Zehua Liu, Kentaro Hara, and Mikhail N. Shneider Physics of Fluids 35, 042101 (2023) Read the article → Modeling density effects on electronic configurations in warm dense plasmas  Gérald Faussurier Physics of Plasmas 30, 042701 (2023) Read the article → Broadband microwave absorption effects in 2D nitrogen capacitively coupled plasma under different operating conditions  Wenchong Ouyang, Qi Liu, Chengbiao Ding, and Zhengwei Wu Physics of Plasmas 30, 043501 (2023) Read the article → Resonant collisions of high-order localized waves in the Maccari system  Yulei Cao, Yi Cheng, and Jingsong He J. Math. Phys. 64, 043501 (2023) Read the article → Some perturbation results for quasi-bases and other sequences of vectors  Fabio Bagarello, and Rosario Corso J. Math. Phys. 64, 043502 (2023) Read the article → High efficiency radio frequency antennas for amplifier free quantum sensing applications  S. Mahtab, P. Milas, D.-T. Veal, M. G. Spencer, and B. Ozturk Review of Scientific Instruments 94, 044701 (2023) Read the article → A rabbit shaped bidirectional linear ultrasonic motor driven by single-phase signal  Bing Zhang, and Chaodong Li Review of Scientific Instruments 94, 045002 (2023) Read the article → Identification and comparative analysis of vibration modal parameters of rice planter frame    Kaikang Chen, Yanwei Yuan, Bo Zhao, Liming Zhou, Hui Wang, Kang Niu, Xin Jin, and Yongjun Zheng AIP Advances 13, 045002 (2023) Read the article → A resonant inertial impact rotary piezoelectric motor based on a self-clamping structure  Liangguo He, Zhikai Wan, Kun Li, Yong Wang, Xinyu Li, Xinfang Ge, Haotian Dou, Zengxiang Shan, Xukang Yue, and An Qian Review of Scientific Instruments 94, 045003 (2023) Read the article → Study on the decomposition mechanism and insulation stability of HFO-1336mzz(E)/air mixtures as a new environment-friendly insulation medium under AC voltage    Nian Tang, Jia Nie, Jie Liu, Dongwei Sun, Li Li, Zhenguo Liu, Manjun Zhang, Feng Wang, Zhe Qu, and Yuzhu Hu AIP Advances 13, 045007 (2023) Read the article → Spin chirality driven by the Dzyaloshinskii–Moriya interaction in one-dimensional antiferromagnetic chain    Xing Guo, Yaojin Li, Zimeng Yao, Chenglong Jia, and Lan Zhang AIP Advances 13, 045103 (2023) Read the article → Phase proper orthogonal decomposition of non-stationary turbulent flow  Yisheng Zhang, Azur Hodžić, Fabien Evrard, Berend van Wachem, and Clara M. Velte Physics of Fluids 35, 045109 (2023) Read the article → Equation of state remeasurements for aluminum and copper under low-impact loading    Jian Zhang, Lei Zhao, Ruizhi Zhang, G. Yang, Guoqiang Luo, and Qiang Shen AIP Advances 13, 045202 (2023) Read the article → Research on excited states of PPV-COF spectra based on first principles      Xudong Tang, Wangyang Ding, Nan Chen, Mingyang Li, Jiayu Li, and Boxun Liu AIP Advances 13, 045204 (2023) Read the article → Ultrafast charge migration in ionized iodo-alkyne chain I(CC)nH+    Yuan Meng, Huihui Wang, Yichi Zhang, and Yonggang Yang AIP Advances 13, 045301 (2023) Read the article → Magnetization switching of a nearly compensated ferrimagnet by enhanced spin-orbit torque      Xu Zhang, Xiaolu Wang, Qisheng Jiang, Wenqing He, Yongqiang Yang, Qianxun Gong, Tengyu Guo, Peng Chen, Jing Zhang, Guoqiang Yu, Xiufeng Han, Kang L. Wang, Yue Wang, Baoshan Cui, and Hao Wu AIP Advances 13, 045304 (2023) Read the article → Prediction of four Si3N4 compounds by first-principles calculations    Qiaohe Wu, Zhongtang Huo, Chong Chen, Xiuqing Li, Zhou Wang, Changji Wang, Lianjie Zhang, Yufei Gao, Mei Xiong, and Kunming Pan AIP Advances 13, 045310 (2023) Read the article → Analytical and numerical investigation on the energy of free and locked tsunami waves generated by a submarine landslide      Peter H.-Y. Lo Physics of Fluids 35, 046601 (2023) Read the article → The nature of the chemical bond  Thom H. Dunning, Mark S. Gordon, and Sotiris S. Xantheas J. Chem. Phys. 158, 130401 (2023) Read the article → The electron–phonon renormalization in the electronic structure calculation: Fundamentals, current status, and challenges    Honghui Shang, and Jinlong Yang J. Chem. Phys. 158, 130901 (2023) Read the article → A multi-fragment real-time extension of projected density matrix embedding theory: Non-equilibrium electron dynamics in extended systems  Dariia Yehorova, and Joshua S. Kretchmer J. Chem. Phys. 158, 131102 (2023) Read the article → Multicomponent wavefunction-in-DFT embedding for positronium molecules  Félix Moncada, and Andrés Reyes J. Chem. Phys. 158, 134101 (2023) Read the article → Higher-order Rayleigh-quotient gradient effect on electron correlations  Yanoar Pribadi Sarwono, and Rui-Qin Zhang J. Chem. Phys. 158, 134102 (2023) Read the article → Model selection in atomistic simulation  Jonathan E. Moussa J. Chem. Phys. 158, 134103 (2023) Read the article → Electronic transition dipole moments from time-independent excited-state density-functional tight-binding  Megan Y. Deshaye, Alex T. Wrede, and Tim Kowalczyk J. Chem. Phys. 158, 134104 (2023) Read the article → Multi-site reaction dynamics through multi-fragment density matrix embedding  Chenghan Li, Junjie Yang, Xing Zhang, and Garnet Kin-Lic Chan J. Chem. Phys. 158, 134105 (2023) Read the article → Low-rank approximations for accelerating plane-wave hybrid functional calculations in unrestricted and noncollinear spin density functional theory  Sheng Chen, Kai Wu, Wei Hu, and Jinlong Yang J. Chem. Phys. 158, 134106 (2023) Read the article → On the iterative diagonalization of matrices in quantum chemistry: Reconciling preconditioner design with Brillouin–Wigner perturbation theory  Zachary W. Windom, and Rodney J. Bartlett J. Chem. Phys. 158, 134107 (2023) Read the article → Predicting residue cooperativity during protein folding: A combined, molecular dynamics and unsupervised learning approach  Praveen Ranganath Prabhakar, Dhiman Ray, and Ioan Andricioaei J. Chem. Phys. 158, 134108 (2023) Read the article → Spontaneous spin and valley polarizations in a two-dimensional Cr2S3 monolayer    Yan Li, Yanzhao Wu, Li Deng, Xiang Yin, Xiaoli Han, Fubo Tian, and Xianmin Zhang Journal of Applied Physics 133, 134301 (2023) Read the article → Photoelectron spectroscopy and dissociative photoionization of fulminic acid, HCNO  Marius Gerlach, Barry Mant, Tobias Preitschopf, Emil Karaev, Dennis Mayer, Heidy M. Quitián-Lara, Patrick Hemberger, John Bozek, Graham Worth, and Ingo Fischer J. Chem. Phys. 158, 134303 (2023) Read the article → X-ray induced electron and ion fragmentation dynamics in IBr  Phay J. Ho, Dipanwita Ray, C. Stefan Lehmann, Adam E. A. Fouda, Robert W. Dunford, Elliot P. Kanter, Gilles Doumy, Linda Young, Donald A. Walko, Xuechen Zheng, Lan Cheng, and Stephen H. Southworth J. Chem. Phys. 158, 134304 (2023) Read the article → Photoionization of the water molecule with XCHEM  P. Fernández-Milán, V. J. Borràs, J. González-Vázquez, and F. Martín J. Chem. Phys. 158, 134305 (2023) Read the article → Water-assisted electron capture exceeds photorecombination in biological conditions  Axel Molle, Oleg Zatsarinny, Thomas Jagau, Alain Dubois, and Nicolas Sisourat J. Chem. Phys. 158, 134306 (2023) Read the article → Magnetic dipole and quadrupole transitions in the ν2 + ν3 vibrational band of carbon dioxide  Daniil N. Chistikov J. Chem. Phys. 158, 134307 (2023) Read the article → Solid-amorphous transition is related to the waterlike anomalies in a fluid without liquid–liquid phase transition    José Rafael Bordin, and Leandro B. Krott J. Chem. Phys. 158, 134501 (2023) Read the article → Departures from perfect isomorph behavior in Lennard-Jones fluids and solids      D. M. Heyes, D. Dini, S. Pieprzyk, and A. C. Brańka J. Chem. Phys. 158, 134502 (2023) Read the article → Transport properties in liquids from first-principles: The case of liquid water and liquid argon  Pier Luigi Silvestrelli J. Chem. Phys. 158, 134503 (2023) Read the article → A comprehensive modeling approach for polymorph selection in Lennard-Jones crystallization  Pelin S. Bulutoglu, Akshat S. Zalte, Nandkishor K. Nere, Doraiswami Ramkrishna, and David S. Corti J. Chem. Phys. 158, 134505 (2023) Read the article → Simulating a flexible water model as rigid: Best practices and lessons learned    Raymond Weldon, and Feng Wang J. Chem. Phys. 158, 134506 (2023) Read the article → Molecular modeling and simulation of aqueous solutions of alkali nitrates    Dominik Schaefer, Maximilian Kohns, and Hans Hasse J. Chem. Phys. 158, 134508 (2023) Read the article → Slow spectral diffusion of the NO stretching mode of [RuCl5(NO)]2− in D2O studied by 2D-IR spectroscopy and molecular dynamics simulations  Yuki Fujii, Kyoko Aikawa, Jumpei Tayama, Motohiro Banno, Kaoru Ohta, and Keisuke Tominaga J. Chem. Phys. 158, 134510 (2023) Read the article → More Articles Related to this Topic→ Follow us on social media Copyright © 2023 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.