Quantum Chemistry Topic Alert

Read the latest articles in Quantum Chemistry View in Browser | Forward to a Friend AIP Publishing Topic Alert March 2022 Quantum Chemistry My Settings Introductory Physics, A Model Approach by Robert Karplus (1969, revised and edited by Fernand Brunschwig, 2006) with a Teacher's Guide  Dan MacIsaac The Physics Teacher 60, 239 (2022) Read the article → Hole in one: Pathways to deterministic single-acceptor incorporation in Si(100)-2 × 1  Quinn Campbell, Andrew D. Baczewski, R. E. Butera, and Shashank Misra AVS Quantum Sci. 4, 016801 (2022) Read the article → Origin of enhanced thermal atomic layer etching of amorphous HfO2      Rita Mullins, José Julio Gutiérrez Moreno, and Michael Nolan Journal of Vacuum Science & Technology A 40, 022604 (2022) Read the article → Numerical study of the transverse diffusion coefficient for a one component model of plasma  Lorenzo Valvo, and Andrea Carati Chaos 32, 033103 (2022) Read the article → Effect of electron density gradient on power absorption during gigahertz electromagnetic wave propagating in cold plasma  Jiang-Jiang Li, Yan-Bin Xi, Na Gao, Zhi-Qiang Wang, Qian Wang, and Yue Liu Physics of Plasmas 29, 033301 (2022) Read the article → Measurement on electron density of high-power and large-volume ICP-heated wind tunnel with HCN laser interferometer  Weifeng Deng, Yanming Liu, Jia Zhang, Xiaoping Li, Donglin Liu, and Weimin Bao Physics of Plasmas 29, 033504 (2022) Read the article → A comprehensive investigation of vortex-induced vibrations and flow-induced rotation of an elliptic cylinder  Mohammad Abu Shahzer, Mohammad Athar Khan, Syed Fahad Anwer, Saleem Anwar Khan, Mohammad Shoaib Khan, Abdullah Algethami, and Mishal Alsehli Physics of Fluids 34, 033605 (2022) Read the article → Tuning the shell structure deformation of APS thermal barrier coatings: A molecular dynamics study      Si-Fan Zhong, and Jin-Wu Jiang AIP Advances 12, 035001 (2022) Read the article → The diamond NV-center transition energies in the vicinity of an intrinsic stacking fault      Robin Löfgren, Sven Öberg, and J. Andreas Larsson AIP Advances 12, 035009 (2022) Read the article → Probing the defect states of LuN1−δ: An experimental and computational study      S. Devese, K. Van Koughnet, R. G. Buckley, F. Natali, P. P. Murmu, E.-M. Anton, B. J. Ruck, and W. F. Holmes-Hewett AIP Advances 12, 035108 (2022) Read the article → Electronic transport properties of a-Si:H    Haili Li, and Mitsuhiro Matsumoto AIP Advances 12, 035309 (2022) Read the article → Defect tolerance in halide perovskites: A first-principles perspective    Xie Zhang, Mark E. Turiansky, Jimmy-Xuan Shen, and Chris G. Van de Walle Journal of Applied Physics 131, 090901 (2022) Read the article → A local orientational order parameter for systems of interacting particles    John Çamkıran, Fabian Parsch, and Glenn D. Hibbard J. Chem. Phys. 156, 091101 (2022) Read the article → Studying soft matter interactions at liquid interfaces  Using phase- and polarization-resolved sum-frequency generation spectroscopy to accurately measure molecular orientation at an air-water interface Avery Thompson Scilight 2022, 091101 (2022) Read the article → Realization of self-powered bidirectional photoresponse in the ultraviolet/visible wavelength region in ferroelectric heterojunctions  Xuemin Shen, Siyi Chen, Yuhe Liu, Mingming Chen, Han Lei, Jing Cai, Jiayun Su, Shuaiheng Yang, Yuan Liu, Quan Wang, Dawei Cao, and Chunxiang Xu Appl. Phys. Lett. 120, 091107 (2022) Read the article → Low density of interface trap states and temperature dependence study of Ga2O3 Schottky barrier diode with p-NiOx termination  Qinglong Yan, Hehe Gong, Hong Zhou, Jincheng Zhang, Jiandong Ye, Zhihong Liu, Chenlu Wang, Xuefeng Zheng, Rong Zhang, and Yue Hao Appl. Phys. Lett. 120, 092106 (2022) Read the article → Notable effect of magnetic order on the phonon transport in semi-hydrogenated graphene  Hanqing Li, Pei Zhang, Tao Ouyang, Huiming Wang, Jin Li, Chaoyu He, Chunxiao Zhang, and Chao Tang Appl. Phys. Lett. 120, 092403 (2022) Read the article → Electronic phase transition, spin filtering effect, and spin Seebeck effect in 2D high-spin-polarized VSi2X4 (X = N, P, As)    Yulin Feng, Zilong Wang, Xi Zuo, and Guoying Gao Appl. Phys. Lett. 120, 092405 (2022) Read the article → Work function of van der Waals topological semimetals: Experiment and theory  Bubunu Biswal, Shashi B. Mishra, Renu Yadav, Saroj Poudyal, Ramesh Rajarapu, Prahalad Kanti Barman, Khade Ramdas Pandurang, Manasi Mandal, Ravi Prakash Singh, B. R. K. Nanda, and Abhishek Misra Appl. Phys. Lett. 120, 093101 (2022) Read the article → Modulation of recombination zone position for white perovskite/organic emitter hybrid light-emitting devices  Xiang Zhang, Xiaoheng Yan, Lindsey J. Gray, Junwei Xu, Wenfa Xie, and David L. Carroll Appl. Phys. Lett. 120, 093301 (2022) Read the article → Controlling magnetic vortex pairs in dipolar coupling Py elliptical nanocylinders  J. T. S. Dantas, R. M. Souza, A. S. Carriço, S. M. S. B. Martins, L. L. Oliveira, and Ana L. Dantas Journal of Applied Physics 131, 093901 (2022) Read the article → Magnon mode transition in synthetic antiferromagnets induced by perpendicular magnetic anisotropy  Xiao Xiao, Zhengdong Chen, Changting Dai, and Fusheng Ma Journal of Applied Physics 131, 093905 (2022) Read the article → ΔNO and the complexities of electron correlation in simple hydrogen clusters  Ismael A. Elayan, Rishabh Gupta, and Joshua W. Hollett J. Chem. Phys. 156, 094102 (2022) Read the article → Modeling and measuring plasmonic excitations in hollow spherical gold nanoparticles    Marvin M. Müller, Nanda Perdana, Carsten Rockstuhl, and Christof Holzer J. Chem. Phys. 156, 094103 (2022) Read the article → Benchmarking isotropic hyperfine coupling constants using (QTP) DFT functionals and coupled cluster theory  Zachary W. Windom, Ajith Perera, and Rodney J. Bartlett J. Chem. Phys. 156, 094107 (2022) Read the article → Quantum state-dependent anion–neutral detachment processes  Saba Zia Hassan, Jonas Tauch, Milaim Kas, Markus Nötzold, Roland Wester, and Matthias Weidemüller J. Chem. Phys. 156, 094304 (2022) Read the article → Uncovering strengthening and softening mechanisms of nano-twinned CoCrFeCuNi high entropy alloys by molecular dynamics simulation  T. Z. Shen, H. Y. Song, M. R. An, and Y. L. Li Journal of Applied Physics 131, 094304 (2022) Read the article → Revisiting the single-saddle model for the β-relaxation of supercooled liquids  Daniele Coslovich, and Atsushi Ikeda J. Chem. Phys. 156, 094503 (2022) Read the article → Role of lithium intercalation in fluorine-doped tin oxide thin films: Ab initio calculations and experiment  Israel Perez, Victor Sosa, Fidel Gamboa, Jose Luis Enriquez-Carrejo, and Juan Carlos Mixteco Sanchez J. Chem. Phys. 156, 094701 (2022) Read the article → Charge carrier nonadiabatic dynamics in non-metal doped graphitic carbon nitride  Sraddha Agrawal, Andrey S. Vasenko, Dhara J. Trivedi, and Oleg V. Prezhdo J. Chem. Phys. 156, 094702 (2022) Read the article → Accurate molecular orientation at interfaces determined by multimode polarization-dependent heterodyne-detected sum-frequency generation spectroscopy via multidimensional orientational distribution function        Chun-Chieh Yu, Sho Imoto, Takakazu Seki, Kuo-Yang Chiang, Shumei Sun, Mischa Bonn, and Yuki Nagata J. Chem. Phys. 156, 094703 (2022) Read the article → Metal–organic frameworks properties from hybrid density functional approximations  Lorenzo Donà, Jan Gerit Brandenburg, and Bartolomeo Civalleri J. Chem. Phys. 156, 094706 (2022) Read the article → Toward accurate ab initio modeling of siliceous zeolite structures  Michal Trachta, Miroslav Rubeš, and Ota Bludský J. Chem. Phys. 156, 094708 (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. 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