Quantum Chemistry Topic Alert

Read the latest articles in Quantum Chemistry View in Browser AIP Publishing Topic Alert November 2022 Quantum Chemistry My Settings Microrheological study of single chain dynamics in semidilute entangled flexible polymer solutions: Crossover from Rouse to Zimm modes  Tsutomu Indei, and Tetsuharu Narita Journal of Rheology 66, 1165 (2022) Read the article → Time-resolved microstructural changes in large amplitude oscillatory shear of model single and double component soft gels  Gavin J. Donley, Minaspi Bantawa, and Emanuela Del Gado Journal of Rheology 66, 1287 (2022) Read the article → Influence of psychological techniques on the brain rhythms and face temperature  N. M. Bogatov, A. N. Bogatova, S. A. Sukhih, L. R. Grigoryan, M. S. Kovalenko, A. A. Nosal, and D. A. Schetinin AIP Conference Proceedings 2647, 020013 (2022) Read the article → Critical behavior of the specific heat of Ga1-XMnXAS ferromagnetic semiconductors  Dilnoza B. Abdirimova, Furqat O. Quryozov, and Ravshonbek O. Ozodov AIP Conference Proceedings 2647, 020033 (2022) Read the article → Study the effect of size variation and stability on the electronic and spectroscopic properties of BN wurtzoids- diamantane nanostructure via density functional theory  Mohammed. T. Hussein, and Bilal A. Abdullah AIP Conference Proceedings 2400, 030005 (2022) Read the article → An investigation of bridge atoms effects on the thermal and electrical properties for both para and meta linked indeno-fluorene single molecules  Noor A. Al-Alwany, and Alaa A. Al-Jobory AIP Conference Proceedings 2400, 030009 (2022) Read the article → Length effect on the thermal and electric properties of (9,0) and (10,0) carbon nanotube (A theoretical study)  Saja H. Abed, and Alaa A. Al-Jobory AIP Conference Proceedings 2400, 030013 (2022) Read the article → Studying the optical properties of (PMMA) film under D.C discharge plasma  Sabah N. Mazhir, Mohammed K. Khalaf, and Zainab J. Jaffer AIP Conference Proceedings 2400, 030017 (2022) Read the article → Investigation of the vibrational spectral and electronic properties for ZnxBe7-xO7 wurtzoid via DFT approximation  Ali L. Abed, and Mohammed T. Hussein AIP Conference Proceedings 2400, 030018 (2022) Read the article → Optical and structural properties of dye Juglone – Polymer blend prepared by solution mixing proses  Mohammed Jawad H. Kadhim, Ammar E. Al-Kawaz, Yasir A. Al-Kawaz, Ali Y. Layla, and Fadhaa A. Kareem AIP Conference Proceedings 2400, 030022 (2022) Read the article → The possibilities of using virtual reality when introducing students to scientific activities in physics  Pavel V. Zakharov, Yuri. V. Bebikhov, Alexander S. Semenov, Evgeniy A. Eremeev, and Andrey S. Kochkin AIP Conference Proceedings 2647, 040006 (2022) Read the article → Molecular dynamics method as an additional educational tool in the course of solid state physics  Pavel V. Zakharov, Ustina I. Yankovskaya, Yuri. V. Bebikhov, Alexander S. Semenov, and Artem V. Markidonov AIP Conference Proceedings 2647, 040019 (2022) Read the article → Creation of a simulation stand for studying of the internet of things' technologies  Olga Isaeva, Nikita Kulyasov, and Sergey Isaev AIP Conference Proceedings 2647, 040030 (2022) Read the article → Topological nodal line phonons: Recent advances in materials realization    Xiaotian Wang, Tie Yang, Zhenxiang Cheng, Gokhan Surucu, Jianhua Wang, Feng Zhou, Zeying Zhang, and Gang Zhang Applied Physics Reviews 9, 041304 (2022) Read the article → Red ginger (Zingiber officinale var. rubrum): Its essential oil content and potential as an anti-propionibacterium acnes by molecular docking  Shadila Fira Asoka, Wulan Tri Wahyuni, Irmanida Batubara, and Setyanto Tri Wahyudi AIP Conference Proceedings 2563, 050003 (2022) Read the article → Chemical effects on the dynamics of organic molecules irradiated with high intensity x rays    Sourav Banerjee, Zoltan Jurek, Malik Muhammad Abdullah, and Robin Santra Structural Dynamics 9, 054101 (2022) Read the article → Modeling difference x-ray scattering observations from an integral membrane protein within a detergent micelle        Daniel Sarabi, Lucija Ostojić, Robert Bosman, Adams Vallejos, Johanna-Barbara Linse, Michael Wulff, Matteo Levantino, and Richard Neutze Structural Dynamics 9, 054102 (2022) Read the article → Mussel adhesion: A fundamental perspective on factors governing strong underwater adhesion        Laura L. E. Mears, Julia Appenroth, Hui Yuan, Alper T. Celebi, Pierluigi Bilotto, Alexander M. Imre, Bruno Zappone, Rongxin Su, and Markus Valtiner Biointerphases 17, 058501 (2022) Read the article → Gold nanoparticle design for RNA compaction      Jessica A. Nash, Matthew D. Manning, Alexey V. Gulyuk, Aleksey E. Kuznetsov, and Yaroslava G. Yingling Biointerphases 17, 061001 (2022) Read the article → Molecular dynamics simulation of oxide-nitride bilayer etching with energetic fluorocarbon ions  Charisse Marie D. Cagomoc, Michiro Isobe, Eric A. Hudson, and Satoshi Hamaguchi Journal of Vacuum Science & Technology A 40, 063006 (2022) Read the article → Effect of electron conduction on the read noise characteristics in ReRAM devices    K. Schnieders, C. Funck, F. Cüppers, S. Aussen, T. Kempen, A. Sarantopoulos, R. Dittmann, S. Menzel, V. Rana, S. Hoffmann-Eifert, and S. Wiefels APL Materials 10, 101114 (2022) Read the article → Thermal response of main protease of SARS and COVID-19 via a coarse-grained approach    Panisak Boonamnaj, Pornthep Sompornpisut, and R. B. Pandey AIP Advances 12, 105027 (2022) Read the article → Fine structure of the charge density wave in bulk VTe2    Ganbat Duvjir, Jee-Ahn Jung, Trinh Thi Ly, Nguyen Huu Lam, Young Jun Chang, Sunghun Lee, Hanchul Kim, and Jungdae Kim APL Materials 10, 111102 (2022) Read the article → On a semilinear wave equation in anti-de Sitter spacetime: The critical case    Alessandro Palmieri, and Hiroyuki Takamura J. Math. Phys. 63, 111505 (2022) Read the article → Imbibition dynamics and steady flows in graphene nanochannels with sparse geometric and chemical defects  Yi-Ting Cheng, Hsin-Yu Chang, Heng-Kwong Tsao, and Yu-Jane Sheng Physics of Fluids 34, 112003 (2022) Read the article → Barkas effect in strongly magnetized plasmas    Louis Jose, David J. Bernstein, and Scott D. Baalrud Physics of Plasmas 29, 112103 (2022) Read the article → Equilibrium shapes of two- and three-dimensional two-phase rotating fluid drops with surface tension: Effects of inner drop displacement  S. L. Butler Physics of Fluids 34, 112103 (2022) Read the article → Multicomponent mutual diffusion in the warm, dense matter regime    C. Ticknor, E. R. Meyer, A. J. White, J. D. Kress, and L. A. Collins Physics of Plasmas 29, 112703 (2022) Read the article → Complexity and disequilibrium in the dipole-type Hamiltonian mean-field model  B. Atenas, S. Curilef, and F. Pennini Chaos 32, 113119 (2022) Read the article → Commutators of random matrices from the unitary and orthogonal groups  Pedro H. S. Palheta, Marcelo R. Barbosa, and Marcel Novaes J. Math. Phys. 63, 113502 (2022) Read the article → A fiber-coupled dispersion interferometer for density measurements of pulsed power transmission line electron sheaths on Sandia's Z machine  N. R. Hines, Sonal Patel, Daniel Scoglietti, Mark Gilmore, S. L. Billingsley, R. H. Dwyer, Thomas Awe, Darrell Armstrong, David Bliss, George Laity, and Michael Cuneo Review of Scientific Instruments 93, 113505 (2022) Read the article → Development and initial results of 320 GHz interferometer system in Heliotron J  P. Zhang, S. Ohshima, H. Zhao, C. Deng, S. Kobayashi, S. Kado, T. Minami, R. Matoike, A. Miyashita, A. Iwata, Y. Kondo, D. Qiu, C. Wang, M. Luo, S. Konoshima, S. Inagaki, H. Okada, T. Mizuuchi, and K. Nagasaki Review of Scientific Instruments 93, 113519 (2022) Read the article → Multi-stage voltage droop compensation based on resonant circuit for unipolar solid-state Marx Generators  Junfeng Rao, Yibo Huang, Xiuzhi Wang, Longyu Zhuang, Jie Zhuang, and Zhenyu Ji Review of Scientific Instruments 93, 114704 (2022) Read the article → The statistics of the Debye–Hückel limiting law    Lodin Ellingsen, and Tore Haug–Warberg AIP Advances 12, 115001 (2022) Read the article → Study on thermal decomposition characteristics of C6F12O/O2/CO2 gas mixtures    Shuangshuang Tian, Xiaoping Jin, Xiaoxing Zhang, Xiaohan Li, Zian Yuan, and Li Chen AIP Advances 12, 115003 (2022) Read the article → Atomic composition/configuration dependent bulk moduli of Al–C composites    Hansika I. Sirikumara, Wilson Rativa-Parada, Robinson Karunanithy, Poopalasingam Sivakumar, Sabrina Nilufar, and Thushari Jayasekera AIP Advances 12, 115008 (2022) Read the article → First-principles study of two-dimensional half-metallic ferromagnetism in NiXCl (X = S and Se) monolayer    Xia Xu, Wenhui Wan, and Yong Liu AIP Advances 12, 115105 (2022) Read the article → Interaction between electric field and plasma in inductively coupled discharges    Jun Tao, Nong Xiang, Yemin Hu, Yueheng Huang, Chunyun Gan, and Taotao Zhou AIP Advances 12, 115106 (2022) Read the article → Smoothed particle hydrodynamics physically reconsidered: The relation to explicit large eddy simulation and the issue of particle duality      M. Okraschevski, N. Buerkle, R. Koch, and H.-J. Bauer Physics of Fluids 34, 115108 (2022) Read the article → Theoretical and experimental investigation on the low-frequency vibro-acoustic characteristics of a finite locally resonant plate    Peng Guo, Qi-zheng Zhou, and Zi-yin Luo AIP Advances 12, 115201 (2022) Read the article → Measurement of amplification and absorption of a THz quantum-cascade metasurface free-space amplifier      Christopher A. Curwen, Mohammad Shahili, Sadhvikas J. Addamane, John L. Reno, Boris S. Karasik, Benjamin S. Williams, and Jonathan H. Kawamura AIP Advances 12, 115205 (2022) Read the article → Finite-element dynamic-matrix approach for propagating spin waves: Extension to mono- and multi-layers of arbitrary spacing and thickness      L. Körber, A. Hempel, A. Otto, R. A. Gallardo, Y. Henry, J. Lindner, and A. Kákay AIP Advances 12, 115206 (2022) Read the article → Effect of substrate orientation on band structure of bulk III-V semiconductors    Marta Gladysiewicz, and M. S. Wartak AIP Advances 12, 115208 (2022) Read the article → Density functional theory study of different metal dopants influence on the structural and electronic properties of a tetragonal α-PbO      Fikadu Takele Geldasa, Mesfin Abayneh Kebede, Megersa Wodajo Shura, and Fekadu Gashaw Hone AIP Advances 12, 115302 (2022) Read the article → The four-component DFT method for the calculation of the EPR g-tensor using a restricted magnetically balanced basis and London atomic orbitals  Debora Misenkova, Florian Lemken, Michal Repisky, Jozef Noga, Olga L. Malkina, and Stanislav Komorovsky J. Chem. Phys. 157, 164114 (2022) Read the article → Transient vibration and product formation of photoexcited CS2 measured by time-resolved x-ray scattering  Ian Gabalski, Malick Sere, Kyle Acheson, Felix Allum, Sébastien Boutet, Gopal Dixit, Ruaridh Forbes, James M. Glownia, Nathan Goff, Kareem Hegazy, Andrew J. Howard, Mengning Liang, Michael P. Minitti, Russell S. Minns, Adi Natan, Nolan Peard, Weronika O. Rasmus, Roseanne J. Sension, Matthew R. Ware, Peter M. Weber, Nicholas Werby, Thomas J. A. Wolf, Adam Kirrander, and Philip H. Bucksbaum J. Chem. Phys. 157, 164305 (2022) Read the article → Finite-temperature stability of hydrocarbons: Fullerenes vs flakes  Ariel Francis Perez-Mellor, Pascal Parneix, Florent Calvo, and Cyril Falvo J. Chem. Phys. 157, 171102 (2022) Read the article → The fourth-order expansion of the exchange hole and neural networks to construct exchange–correlation functionals  Etienne Cuierrier, Pierre-Olivier Roy, Rodrigo Wang, and Matthias Ernzerhof J. Chem. Phys. 157, 171103 (2022) Read the article → Electronic and magnetic properties of pure and Cu doped non-polar ZnO (100) surfaces  Esmat Irandegani, Ryo Maezono, and Mohaddeseh Abbasnejad Journal of Applied Physics 132, 173903 (2022) Read the article → Spin-vibronic interaction induced reverse intersystem crossing: A case study with TXO-TPA and TXO-PhCz molecules  Pijush Karak, Kenneth Ruud, and Swapan Chakrabarti J. Chem. Phys. 157, 174101 (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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