Quantum Chemistry Topic Alert

Read the latest articles in Quantum Chemistry View in Browser AIP Publishing Topic Alert May 2024 Quantum Chemistry MY SETTINGS > Slow-motion spectroscopy paves the way for a nuclear clock  Johanna L. Miller Physics Today 77, 12–14 (2024) Read the article → On the state principle of classical thermodynamics  J. G. Smith,B. E. Schmidt Am. J. Phys. 92, 450–454 (2024) Read the article → Mutual inductance between an infinite solenoid and a surrounding loop—A paradox resolved  Ian C Malcolm Am. J. Phys. 92, 473–475 (2024) Read the article → Structure and ionic conduction enhancement mechanisms at CeO2/SrTiO3 heterointerfaces    Bonan Zhu,Georg Schusteritsch,Weiwei Li,Wandong Xing,Rong Yu,Chris J. Pickard,Judith L. MacManus-Driscoll Appl. Phys. Rev. 11, 021420 (2024) Read the article → Computational method for organic chemistry class: Finding an accurate and time-efficient theoretical level for modelling benzene nitration reaction mechanism  Luthfan Irfana,Muhammad Khaffin Suhaimi,Budi Arifin AIP Conf. Proc. 3106, 040007 (2024) Read the article → Vibration-triggered spreading of nanofluid drops    Schon Fusco,Lingyue Liu (刘凌岳),刘凌岳,Miguel Ángel Cabrerizo-Vílchez,Erin Koos,Miguel Ángel Rodríguez-Valverde Physics of Fluids 36, 052014 (2024) Read the article → Probing the influence of cation distribution on the vibrational dynamics and phase transitions in Mg-doped zinc ferrites: Quantum mechanical study    Tahani Saad Almutairi AIP Advances 14, 055025 (2024) Read the article → Analysis of dynamic wave model for unsteady flow and sediment transport in alluvial rivers  Zuisen Li (李最森),李最森,Ronghao Wei (魏荣灏),魏荣灏,Jian Zeng (曾剑),曾剑,Yun Ding (丁赟),丁赟,Yong Guo (郭勇),郭勇 Physics of Fluids 36, 055157 (2024) Read the article → Exploring edge states in square–octagon moiré lattice    Chengzhen Lu,Zhanghua Han,Yangjian Cai,Yuanmei Gao,Zengrun Wen APL Photonics 9, 056109 (2024) Read the article → Reference solutions for compressible single-phase flows in heated and cooled ducts  S. Schropff,F. Petitpas,E. Daniel Physics of Fluids 36, 056126 (2024) Read the article → Experimental investigation on gap resonance between two floating vessels  P. Vineesh (പി. വിനീഷ്),പി. വിനീഷ്,V. Sriram (வே. ஸ்ரீராம்),வே. ஸ்ரீராம் Physics of Fluids 36, 057140 (2024) Read the article → Influence of biaxial strain on thermal electric conductivity and seebeck coefficient in single-layer FeCl2  Teguh Budi Prayitno,Yanoar Pribadi Sarwono,Esmar Budi,Fiqri Aditya Riyanto,Achmad Jaelani AIP Conf. Proc. 3116, 060024 (2024) Read the article → Impact of Coulomb repulsion on thermal electric conductivity in single-layer NiCl2  Teguh Budi Prayitno,Yanoar Pribadi Sarwono,Esmar Budi,Muhammad Andrianto Abdillah,Marliana Candra Kartika AIP Conf. Proc. 3116, 060025 (2024) Read the article → Mesomorphology of clathrate hydrates from molecular ordering  Carlos L. Bassani,Michael Engel,Amadeu K. Sum J. Chem. Phys. 160, 190901 (2024) Read the article → Hückel molecular orbital theory on a quantum computer: A scalable system-agnostic variational implementation with compact encoding  Harshdeep Singh,Sonjoy Majumder,Sabyashachi Mishra J. Chem. Phys. 160, 194106 (2024) Read the article → Exactly solvable Hamiltonian fragments obtained from a direct sum of Lie algebras  Smik Patel,Artur F. Izmaylov J. Chem. Phys. 160, 194107 (2024) Read the article → Molecular heat transport across a time-periodic temperature gradient    Renai Chen,Tammie Gibson,Galen T. Craven J. Chem. Phys. 160, 194305 (2024) Read the article → Intramolecular singlet fission: Quantum dynamical simulations including the effect of the laser field    S. Rajagopala Reddy,Pedro B. Coto,Michael Thoss J. Chem. Phys. 160, 194306 (2024) Read the article → Multiscale approach to the theory of nonisothermal homogeneous nucleation  D. I. Zhukhovitskii J. Chem. Phys. 160, 194505 (2024) Read the article → Unraveling the dynamic slowdown in supercooled water: The role of dynamic disorder in jump motions  Shinji Saito J. Chem. Phys. 160, 194506 (2024) Read the article → Isotope effects in supercooled H2O and D2O and a corresponding-states-like rescaling of the temperature and pressure    Greg A. Kimmel J. Chem. Phys. 160, 194508 (2024) Read the article → First-principles thermodynamic investigation on the α phases in TiO and TiNb binary system  Ning Zhang,Alessandro Mottura J. Chem. Phys. 160, 194709 (2024) Read the article → Ultra-flat bands at large twist angles in group-V twisted bilayer materials  Zhi-Xiong Que,Shu-Zong Li,Bo Huang,Zhi-Xiong Yang,Wei-Bing Zhang J. Chem. Phys. 160, 194710 (2024) Read the article → Surface viscosity of liquid interfaces from Green–Kubo relations    Pál Jedlovszky,Marcello Sega J. Chem. Phys. 160, 201101 (2024) Read the article → Working with benchmark datasets in the Cuby framework  Jan Řezáč,Outi Vilhelmiina Kontkanen,Martin Nováček J. Chem. Phys. 160, 202501 (2024) Read the article → Exchange coupling in (Co/Pt)2/Nb/(Pt/Co)2 multilayers induced by the Yu–Shiba–Rusinov bound states    Qi Lu,Yaojin Li,Tao Li,Tai Min,Zhuang-De Jiang,Young Sun,Ming Liu J. Appl. Phys. 135, 203902 (2024) Read the article → Performance of range-separated long-range SOPPA short-range density functional theory method for vertical excitation energies  Juliane H. Fuglsbjerg,Dániel Nagy,Hans Jørgen Aa. Jensen,Stephan P. A. Sauer J. Chem. Phys. 160, 204102 (2024) Read the article → Quantifying spin contamination in algebraic diagrammatic construction theory of electronic excitations  Terrence L. Stahl,Alexander Yu. Sokolov J. Chem. Phys. 160, 204104 (2024) Read the article → Assessing the global natural orbital functional approximation on model systems with strong correlation  Ion Mitxelena,Mario Piris J. Chem. Phys. 160, 204106 (2024) Read the article → On-the-fly kinetic Monte Carlo simulations with neural network potentials for surface diffusion and reaction  Tomoko Yokaichiya,Tatsushi Ikeda,Koki Muraoka,Akira Nakayama J. Chem. Phys. 160, 204108 (2024) Read the article → Performance assessment of the effective core potentials under the fermionic neural network: First and second row elements  Mengsa Wang,Yuzhi Zhou,Han Wang J. Chem. Phys. 160, 204109 (2024) Read the article → Dense-sparse quantum Monte Carlo algebraic diagrammatic construction and importance ranking  Adem Halil Kulahlioglu,Andreas Dreuw J. Chem. Phys. 160, 204111 (2024) Read the article → Conformational and environmental effects on the electronic and vibrational properties of dyes for solar cell devices  Edoardo Buttarazzi,Antonio Inchingolo,Danilo Pedron,Marta Erminia Alberto,Elisabetta Collini,Alessio Petrone J. Chem. Phys. 160, 204301 (2024) Read the article → Determination of Lennard-Jones potential parameters for interfacial interaction in elemental layered crystals    Douxing Pan,Jinghan Li,Lok C. Lew Yan Voon,Peijun Wei J. Appl. Phys. 135, 204301 (2024) Read the article → Exploring structures of small anionic nickel–ethanol clusters with infrared spectroscopy  F. Dietrich,M. Becherer,D. Bellaire,M. Gerhards J. Chem. Phys. 160, 204302 (2024) Read the article → Valley splitting by extended zone effective mass approximation incorporating strain in silicon    Jinichiro Noborisaka,Toshiaki Hayashi,Akira Fujiwara,Katsuhiko Nishiguchi J. Appl. Phys. 135, 204302 (2024) Read the article → Unknown crystal-like phases formed in an imidazolium ionic liquid: A metadynamics simulation study  Hiroki Nada J. Chem. Phys. 160, 204501 (2024) Read the article → Local number fluctuations in ordered and disordered phases of water across temperatures: Higher-order moments and degrees of tetrahedrality  Michael A. Klatt,Jaeuk Kim,Thomas E. Gartner, III,Salvatore Torquato J. Chem. Phys. 160, 204502 (2024) Read the article → Percolation transition and bimodal density distribution in hydrogen fluoride    Elija Feigl,Pál Jedlovszky,Marcello Sega J. Chem. Phys. 160, 204503 (2024) Read the article → In situ formation of inhibitor species through catalytic surface reactions during area-selective atomic layer deposition of TaN    Marc J. M. Merkx,Ilker Tezsevin,Pengmei Yu,Thijs Janssen,Rik H. G. M. Heinemans,Rik J. Lengers,Jiun-Ruey Chen,Christopher J. Jezewski,Scott B. Clendenning,Wilhelmus M. M. Kessels,Tania E. Sandoval,Adriaan J. M. Mackus J. Chem. Phys. 160, 204701 (2024) Read the article → Evolution of structural dynamics in cesium lead halide perovskite colloidal nanocrystals from temperature-controlled synthesis  Gopi Adhikari,Bo Zhang,Yinsheng Guo J. Chem. Phys. 160, 204702 (2024) Read the article → Cysteine-induced growth of jagged gold bipyramids from penta-twinned nanorod seeds  Jianwei Hu,Lingzhi Li,Yu Zou,Zhaochuan Fan,Jiang Jiang J. Chem. Phys. 160, 204703 (2024) Read the article → Theory of acoustic polarons in the two-dimensional SSH model applied to the layered superatomic semiconductor Re6Se8Cl2  Petra Shih,Timothy C. Berkelbach J. Chem. Phys. 160, 204705 (2024) Read the article → Coarse-grained force field for ZIF-8: A study on adsorption, diffusion, and structural properties  Amro M. O. Mohamed,Ioannis G. Economou,Hae-Kwon Jeong J. Chem. Phys. 160, 204706 (2024) Read the article → The multi-scale polarizable pseudo-particle solvent coarse-grained approach: From NaCl salt solutions to polyelectrolyte hydration  Michel Masella,Fabien Léonforté J. Chem. Phys. 160, 204902 (2024) Read the article → High throughput substrate screening for interfacial thermal management of β-Ga2O3 by deep convolutional neural network    Mohammed Al-Fahdi,Ming Hu J. Appl. Phys. 135, 205101 (2024) Read the article → In-plane thermal conductivity of hexagonal boron nitride from 2D to 3D    Jialin Tang,Jiongzhi Zheng,Xiaohan Song,Lin Cheng,Ruiqiang Guo J. Appl. Phys. 135, 205105 (2024) Read the article → Surface properties of non-passivated nickel-based alloys in H2O-bearing environments by theoretical calculations: Atomic modification effects from alloying additions    Ya-Ru Yin,Han Wang,Yu-Qi Yang,Xue Hai,Zhen-Hui Li,Cui-Lan Ren,Ping Huai J. Appl. Phys. 135, 205301 (2024) Read the article → Detection of Dirac fermions in capped SnTe film via magnetotransport measurements    S. de Castro,E. Abramof,P. H. O. Rappl,M. L. Peres J. Appl. Phys. 135, 205701 (2024) Read the article → Amorphous TeO2 as p-type oxide semiconductor for device applications  John Robertson,Xuewei Zhang,Qingzhong Gui,Yuzheng Guo Appl. Phys. Lett. 124, 212101 (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. 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