Quantum Chemistry Topic Alert

Read the latest articles in Quantum Chemistry View in Browser OUR JOURNALS MANAGE MY ALERTS ABOUT AIP PUBLISHING Quantum Chemistry  July 2025 Topic Alert ALL ARTICLES > Investigation of oscillations of interband magneto-optical absorption in low-dimensional semiconductors U. I. Erkaboev,R. G. Rakhimov,N. N. Abduganiyev,Q. A. Temirov,A. A. Abdusalomov READ MORE > The influence of temperature on magnetoresistance oscillations in nanoscale semiconductor structures U. I. Erkaboev,R. G. Rakhimov,B. A. Tursunov,M. O. Obidjanov,J. I. Rajabov READ MORE > The utilization of ultraviolet and visible spectrophotometry combined with chemometric analysis to identify and discriminate the quality of Kopi Tubruk in Padang city Daimon Syukri,Fitria Indah Permata Sari,R. Rini READ MORE > Greenhouse automation using machine to machine communication and IoT Sruthy Emmanuel,Abel David Rajan,Alan Sabu,Amal C. Santhosh,Chandana Sumendran READ MORE > Effect of electron injection on charge properties of lead-boron-silicate glass O. O. Mamatkarimov,N. Yu. Sharibaev,A. A. Abdulkhayev,M. O. Turgunov READ MORE > A perspective of doping in diamond: From nanoelectronics to quantum applications P. P. Filippatos,A. Chroneos READ MORE > Dual-channel linear-to-circular polarization conversion based on a photonic time crystal Jun-Rui Pan,Shuo Dai,Hai-Feng Zhang READ MORE > Efficient and stable CsPbBr3 perovskite quantum dots by dodecyl dimethyl betaine ligand toward light-emitting diode Qingyu Xie,Long Luo,Dongdong Yan,Daofu Wu,Xiaosheng Tang,Muzhi Cai,Ronglei Fan,Wei Pei,Shengnan Tian,Yusong Tu,Yongfeng Liu READ MORE > Non-collinear spin textures in a lateral heterostructure of nickel-dihalide monolayers Ilkay Ozdemir,Mahsa Seyedmohammadzadeh,Yusuf Yüksel,Olcay Üzengi Aktürk,Ümit Akıncı,Seth Ariel Tongay,Johannes V. Barth,Milorad V. Milošević,Ethem Aktürk READ MORE > Velocity-field measurements in a GaN/AlN two-dimensional hole gas Joseph E. Dill,Jonah Shoemaker,Kazuki Nomoto,Jimy Encomendero,Zexuan Zhang,Chuan F. C. Chang,Jie-Cheng Chen,Feliciano Giustino,Stephen Goodnick,Debdeep Jena,Huili Grace Xing READ MORE > Ultralow threshold voltage in an epitaxial p-GeFeTe/n-Si heterojunction enabled by magnetic field modulation Jindong Liu,Wei Chen READ MORE > Structure of the very first atomic layer of Ga oxide on GaN at GaN oxidation front Emi Kano,Shuto Hattori,Kenji Shiraishi,Atsushi Oshiyama,Takahide Umeda,Tetsuo Narita,Tetsu Kachi,Nobuyuki Ikarashi READ MORE > Tuning magnetocaloric effect by carbon interstitial phase in RE15Si9Cx (RE = Er, Ho) compounds for hydrogen liquefaction Lu Tian,Haobo Sun,Jianjian Gong,Zhenxing Li,Guodong Liu,Jun Shen,Zhaojun Mo READ MORE > Stress-tunable spin-wave dynamics in superellipse-shaped FeGa nanostructures Eduardo Saavedra,Helmunt Vigo-Cotrina,Carlos Saji,David Laroze,Juan Escrig READ MORE > Spin symmetry study in non-collinear CrSe: Odd-wave magnetism induced by glide mirror symmetry breaking Shuo Xu,Meiyin Yang,Yanru Li,Bowen Shen,Shuaiyu Gong,Jingsong Huang,Peiyue Yu,Ying Li,Jun Luo READ MORE > Tuning current-induced electron wind forces for adsorbates on graphene Anshul Saxena,Narayana R. Aluru READ MORE > Determining the N-representability of transition reduced density matrices Gustavo E. Massaccesi,Pablo Capuzzi,Ofelia B. Oña,Luis Lain,Alicia Torre,Juan E. Peralta,Diego R. Alcoba READ MORE > Embedded random phase approximation for magnetic systems: H2 dissociative adsorption on Fe(110) Ziyang Wei,Emily A. Carter READ MORE > Drachmanization revisited Jerzy Cioslowski READ MORE > Large scale simulations of a detailed molecular model of seawater: Ionic conductivity and diffusion coefficients of CO2 Miguel A. Gonzalez,David Carrasco-Busturia,Carlos Vega,Jose L. F. Abascal READ MORE > Assembly of tubes in the stretching-dominated limit Carlos I. Mendoza,David Reguera READ MORE > Quercetin targets the Ccl4–Ccr5 axis to relieve neuropathic pain after spinal cord injury Xiangsheng Zhang,Yu Cao,Lu Li,Yike Liu,Pengyu Zhou,Yupei Lai,Suo Wang,Yuefen Zuo,Jiahao Chen,Chuying Chen,Jiurong Cheng,Yingdong Deng,Ziqiang Lin,Simin Tang,Peng Sun,Yan Zhang,Jun Zhou READ MORE > Revolutionizing chemical science: Computer-aided modeling for process visualization Ulugbek Alimov READ MORE > Anisotropic interlayer force fields for van der Waals interfaces: Development and applications Xiang Gao,Wengen Ouyang,Leeor Kronik,Michael Urbakh,Oded Hod READ MORE > Tailoring optical properties of pulsed laser deposition grown epitaxial SrTiO3 thin films by tantalum doping Mamta Arya,Shammi Kumar,Bisweswar Santra,Gangadhar Das,Giuliana Aquilanti,Sunil Ojha,Vidha Bhasin,Dibyendu Bhattacharyya,V. Raghavendra Reddy,Sankar Dhar,Bhaskar Kaviraj,Aloke Kanjilal READ MORE > Excitonic effects on the optical spectra and the electron energy loss spectra of Mg2C using linear response theory Shruti Jangir,Nikhil Joshi,K. B. Joshi READ MORE > Physics-guided estimation of mean first-passage times from censored nucleation trajectories Liang-Yao Huang,Pin-Kuang Lai,Shiang-Tai Lin READ MORE > Coarse-graining in quantum mechanics: Distinguishable and indistinguishable particles Patrick G. Sahrmann,Gregory A. Voth READ MORE > Photoinduced dynamics of CO on Ru(0001): Understanding experiments by simulations with all degrees of freedom Bruno Mladineo,J. Iñaki Juaristi,Maite Alducin,Peter Saalfrank,Ivor Lončarić READ MORE > Liquid water under vibrational strong coupling: An extended cavity Born–Oppenheimer molecular dynamics study Jessica Bowles,Jaime De La Fuente Diez,Damien Laage,Johannes Richardi,Rodolphe Vuilleumier,Riccardo Spezia READ MORE > Ehrenfest dynamics accelerated with SPEED Alan Scheidegger,Jiří J. L. Vaníček READ MORE > Spin-generator coordinate method for electronic structure Amir Ayati,Hugh G. A. Burton,Patrick Bultinck,Stijn De Baerdemacker READ MORE > Spin adaptation of the cumulant expansions of reduced density matrices Julia Liebert,Christian Schilling,David A. Mazziotti READ MORE > Approximations of the Iterative Stockholder Analysis scheme using exponential basis functions YingXing Cheng,Benjamin Stamm READ MORE > A low-cost four-component relativistic coupled cluster linear response theory based on perturbation sensitive natural spinors Sudipta Chakraborty,Amrita Manna,T. Daniel Crawford,Achintya Kumar Dutta READ MORE > Ring polymer molecular dynamics with independent-bead approximation Ruji Zhao,Sheng Meng READ MORE > On the rank-reduced relativistic coupled cluster method Alexander V. Oleynichenko,Artem S. Rumiantsev,Andréi Zaitsevskii,Ephraim Eliav READ MORE > Multielectron dynamics, polarization, and Stark shifts for carbon monoxide molecule and molecular ions in a strong laser field Evan C. Jones,Cara McDonald,Jimmy Williams,Matt Pham,James Wisely,Atta Ur Rehman,Krzysztof Szalewicz,Barry C. Walker READ MORE > Infrared spectra of propargyl alcohol dimers in helium nanodroplets Martin Mugglestone,Daniel W. Polak,Julia A. Davies,Shengfu Yang,Andrew M. Ellis READ MORE > Charge localization in diatomic ions investigated with a new dipole moment driven approach. Test for and (ArNe)+ Martina Ćosićová,Thierry Leininger,René Kalus,Florent Xavier Gadéa READ MORE > Anharmonic infrared spectra of cationic pyrene and superhydrogenated derivatives Zeyuan Tang,Frederik G. Doktor,Rijutha Jaganathan,Julianna Palotás,Jos Oomens,Liv Hornekær,Bjørk Hammer READ MORE > Impact of droplets on spherical surfaces with different wettability at the nanoscale: A molecular dynamics study Xin He,Weihai Dong,Cheng Chang,Kai Cui,Junshou Fan,Tieying Wang,Xu Han,Cheng Yu,Shuolin Wang READ MORE > Revealing pre-catalytic CO2 recognition in styrene oxide complexes via rotational spectroscopy Zhikai Chen,Juan Wang,Juncheng Lei,Zhongqiao Gan,Xiao Tian,Junlin Lan,Chenxu Wang,Yue Jiang,Maohao Li,Xuefang Xu,Geng Zhong,Qian Gou READ MORE > Conductivity of concentrated salt solutions Olga I. Vinogradova,Elena F. Silkina READ MORE > Microsecond-scale sucrose conformational dynamics in aqueous solution via molecular dynamics methods Vladimir I. Deshchenya,Kirill M. Gerke,Nikolay D. Kondratyuk READ MORE > Stockmayer fluid simulations for viscosity and glass transition temperature of ionic liquids Jester N. Itliong,Amalie L. Frischknecht,Mark J. Stevens,Issei Nakamura READ MORE > String-like collective motion mediates the martensitic α–β transition in titanium Jiarui Zhang,Jack F. Douglas,Hao Zhang READ MORE > Condensation vs cavitation in water: A simulation study M. Camarillo,I. Sanchez-Burgos,C. P. Lamas,Pablo Montero de Hijes,J. R. Espinosa,E. Sanz READ MORE > Probing solvent fluctuations in deep eutectic solvents: Influence of probe charge and nano-domain localization Tubai Chowdhury,Akhil Pathania,Sapna Ravindranathan,Sayan Bagchi READ MORE > Basal dislocations in proton-ordered hexagonal ice Michael J. Demkowicz READ MORE > Follow us on social media   Copyright © 2025 AIP Publishing. All rights reserved. 1305 Walt Whitman Rd., Melville, NY 11747 You are receiving this email because you have opted-in to receive alerts from us. 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