Quantum Chemistry Topic Alert

Read the latest articles in Quantum Chemistry View in Browser | Forward to a Friend AIP Publishing Topic Alert September 2021 Quantum Chemistry My Settings Modal analysis of free archtop guitar top plates  Davide Salvi, Sebastian Gonzalez, Fabio Antonacci, and Augusto Sarti The Journal of the Acoustical Society of America 150, 1505 (2021) Read the article → Molecular docking simulations of hemoglobin with acrylamide and its interference compounds in coffee sample: A preliminary study of biosensor application  A. Ainun, M. A. F. Nasution, A. Umar, and T. A. Ivandini AIP Conference Proceedings 2370, 020033 (2021) Read the article → Synthesis and molecular docking studies of chalcones derivatives as potential antimalarial agent  Nurlaili, Helvina Saputri, Sri Zulfiza Nasution, Rahmiwati Hilma, and Jufrizal Syahri AIP Conference Proceedings 2370, 070003 (2021) Read the article → Exploration of FDA-approved drug interactions with SARS-CoV2 main protease using structure-based virtual screening and MM-GBSA binding free energy methods  Fredy Z. Saudale AIP Conference Proceedings 2370, 070005 (2021) Read the article → Effect of configuration-dependent multi-body forces on interconversion kinetics of a chiral tetramer model  Nikolai D. Petsev, Frank H. Stillinger, and Pablo G. Debenedetti J. Chem. Phys. 155, 084105 (2021) Read the article → Ab initio symmetric quasi-classical approach to investigate molecular Tully models  Braden M. Weight, Arkajit Mandal, and Pengfei Huo J. Chem. Phys. 155, 084106 (2021) Read the article → Sum-over-state expressions including second-order Herzberg–Teller effects for the calculation of absorption and resonance Raman intensities  Julien Guthmuller J. Chem. Phys. 155, 084107 (2021) Read the article → Ionization potentials for the H2CO trimer  Gabriel L. C. de Souza, and Kirk A. Peterson J. Chem. Phys. 155, 084304 (2021) Read the article → Simulation of protein pulling dynamics on second time scale with boxed molecular dynamics  Sarah Mapplebeck, Jonathan Booth, and Dmitrii Shalashilin J. Chem. Phys. 155, 085101 (2021) Read the article → Ion beam etching dependence of spin–orbit torque memory devices with switching current densities reduced by Hf interlayers    Haowen Ren, Shih-Yu Wu, Jonathan Z. Sun, and Eric E. Fullerton APL Materials 9, 091101 (2021) Read the article → First-principles study of the Kohn anomaly in TaTe4  Fei-Hu Liu, Wei Fu, Ying-Hua Deng, Zi-Bo Yuan, and Li-Na Wu Appl. Phys. Lett. 119, 091901 (2021) Read the article → Accessible information of a general quantum Gaussian ensemble  A. S. Holevo J. Math. Phys. 62, 092201 (2021) Read the article → Ion core effect on scattering processes in dense plasmas  T. S. Ramazanov, S. K. Kodanova, M. M. Nurusheva, and M. K. Issanova Physics of Plasmas 28, 092702 (2021) Read the article → Global existence and singularity of Hill's lunar problem with strong potential  Yanxia Deng, and Slim Ibrahim J. Math. Phys. 62, 092901 (2021) Read the article → Broadband complex permittivity and conductivity measurements in the millimeter-wave bands over variable temperatures using a balanced-type circular disk resonator  Y. Kato, and M. Horibe Appl. Phys. Lett. 119, 092902 (2021) Read the article → Many-body quantum chaos and dual-unitarity round-a-face    Tomaž Prosen Chaos 31, 093101 (2021) Read the article → Experimental diagnosis of electron density and temperature in capacitively coupled argon plasmas: Triple-frequency discharges and two-dimensional spatial distributions  Jidun Wu, Hao Zheng, Yanfei Wang, Qilu Cao, Fengzhu Zhou, Jiaojiao Zhang, and Xiaojiang Huang Physics of Plasmas 28, 093501 (2021) Read the article → Numerical profile correction of microwave cavity resonance spectroscopy measurements of the electron density in low-pressure discharges  T. J. A. Staps, B. Platier, D. Mihailova, P. Meijaard, and J. Beckers Review of Scientific Instruments 92, 093504 (2021) Read the article → Direct determination of Lennard-Jones crystal surface free energy by a computational cleavage method  Azat O. Tipeev, José P. Rino, and Edgar D. Zanotto J. Chem. Phys. 155, 094101 (2021) Read the article → Room temperature magnetoelectric coupling in Pb(Fe1/2Nb1/2)O3 by counterbalancing imbalanced spin moments through spin canting  Jae-Hyeon Cho, Ju-Hyeon Lee, Haeseong Jang, Nyun Jong Lee, Woo-Seok Kang, Geon-Tae Hwang, Sanghoon Kim, Min Gyu Kim, and Wook Jo Journal of Applied Physics 130, 094101 (2021) Read the article → A microcanonical approach to temperature-transferable coarse-grained models using the relative entropy  Evan Pretti, and M. Scott Shell J. Chem. Phys. 155, 094102 (2021) Read the article → Ultrafast nonadiabatic excited-state intramolecular proton transfer in 3-hydroxychromone: A surface hopping approach  Probal Nag, Neethu Anand, and Sivaranjana Reddy Vennapusa J. Chem. Phys. 155, 094301 (2021) Read the article → Theoretical analysis of structures and electronic spectra of molecular colloidal cadmium sulfide clusters and nanoplatelets  Kiet A. Nguyen, Ruth Pachter, and Paul N. Day J. Chem. Phys. 155, 094302 (2021) Read the article → Holmium (Ho) oxide, carbide, and dioxide cation bond energies and evaluation of the Ho + O → HoO+ + e− chemi-ionization reaction enthalpy  Cameron J. Owen, JungSoo Kim, and P. B. Armentrout J. Chem. Phys. 155, 094303 (2021) Read the article → A comparative study of structural, electronic, and optical properties of thiolated gold clusters with icosahedral vs face-centered cubic cores  Maho Miyamoto, Tetsuya Taketsugu, and Takeshi Iwasa J. Chem. Phys. 155, 094304 (2021) Read the article → Enhancement of Curie temperature and reorientation of spin in doped Cr2Si2Te6    Xiao Liu, Zhong-Yi Wang, Da-Yong Liu, and Liang-Jian Zou AIP Advances 11, 095002 (2021) Read the article → Fingerprint building and positioning based on wireless sensor networks for underground  Lizhen Cui, Yong Yang, QiaoLi Wang, FanFei Xu, and Qianqian Guo Review of Scientific Instruments 92, 095004 (2021) Read the article → Bubble lifetimes in DNA gene promoters and their mutations affecting transcription  M. Hillebrand, G. Kalosakas, A. R. Bishop, and Ch. Skokos J. Chem. Phys. 155, 095101 (2021) Read the article → First-principles magnetic treatment of the uranium nitride (100) surface and effect on corrosion initiation    Ember L. Sikorski, Brian J. Jaques, and Lan Li Journal of Applied Physics 130, 095301 (2021) Read the article → Vibronic coupling in light-harvesting complex II revisited    Eric A. Arsenault, Addison J. Schile, David T. Limmer, and Graham R. Fleming J. Chem. Phys. 155, 096101 (2021) Read the article → Diffusion of gravity waves by random space inhomogeneities in pancake-ice fields. Theory and validation with wave buoys and synthetic aperture radar  Piero Olla, Giacomo De Carolis, and Francesca De Santi Physics of Fluids 33, 096601 (2021) Read the article → On two approaches to the third-order solution of surface gravity waves  Zhe Gao, Z. C. Sun, and S. X. Liang Physics of Fluids 33, 097101 (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. 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