Quantum Chemistry Topic Alert

Read the latest articles in Quantum Chemistry View in Browser OUR JOURNALS MANAGE MY ALERTS ABOUT AIP PUBLISHING Quantum Chemistry  April 2026 Topic Alert Non-resonant Raman optical activity from phase-space electronic structure theory Zhen Tao,Mansi Bhati,Joseph E. Subotnik READ MORE > Plasma hydrodynamics from mean force kinetic theory Jarett LeVan,Scott D. Baalrud READ MORE > Influence of nonthermal electrons and positrons on the propagation characteristics of strongly relativistic ion-acoustic solitons in an unmagnetized warm plasma R. Das READ MORE > Molecular dynamics simulations of polyvinyl butyral solvation in methylal solvent in comparison with water, methanol, and ethanol solvents Ryong-Wan Ham,Ryo-Gyong Choe,So-Yong Kim,Chol-Jun Yu READ MORE > Water evaporation with machine learning interatomic potentials trained on MB-pol Wen-Hao Luo,Lei Zhang,Ke Chen,Kun Cao READ MORE > Full-dimensional quantum scattering calculations of rovibrationally excited HD+HD collisions Bikramaditya Mandal,Hubert Jóźwiak,Piotr Wcisło,Naduvalath Balakrishnan READ MORE > Vibrational energy relaxation of excited free OH stretching mode at the surface of ice: An ab initio molecular dynamics simulation study Tatsuya Ishiyama READ MORE > Electronic structure and optical properties of doped Cs3Cu2I5 for scintillator: A first-principles study Lian Sun,Zexu Xue,Leilei Zhang,Qifan Xia,Sihan Du,Kun Wu,Ye Chen,Zungang Wang READ MORE > Janus XGeN3 (X = Cr, Mn, Fe) monolayer with large out-of-plane magnetic anisotropy and high Curie temperature Lingjian Meng,Huailiang Fu,Xin Wang,Xiaoshan Wu,Chonggui Zhong READ MORE > Coupling between ferroelectric distortions and excitonic properties in PbTiO3 Pietro Pacchioni,Lorenzo Varrassi,Cesare Franchini READ MORE > Composition-engineered quantum dashes for high-speed C-band VCSELs Gaowen Chen,Wenhao Yang,Xiupu Zhang READ MORE > Phase field study of exchange coupling of hard/soft ferrite on magnetic permeability Xinyu Xu,Wenqin Yue,Yueli Yu,Yongke Yan,Liwei D. Geng READ MORE > Thermal and vibronic effects on the absorption spectra of II–VI quantum dots: Atomistic origins of the Urbach tail Alexandra Alexiu,Alexandra R. McIsaac,Carina Luo,Inkoo Kim,Yu-Che Chien,Lin Rogers,Troy Van Voorhis READ MORE > Modeling the emission spectra of polycyclic aromatic hydrocarbons by recurrent fluorescence Damien Borja,Florent Calvo,Pascal Parneix,Cyril Falvo READ MORE > Exact results and instabilities in the harmonic approximation of active crystals Connor Roberts,Gunnar Pruessner READ MORE > Resolving solvent effects and intersystem crossing in 2′-deoxy-5-formylcytidine: The pivotal role of the emissive nπ* state revealed by femtosecond broadband fluorescence, transient absorption, and theoretical study Qingwu Xiong,Hanxin Xie,Yicheng Huang,Mingliang Wang,Chensheng Ma,Wai-Ming Kwok READ MORE > Time-resolved non-contact THz diagnostics of impurity state in different sulfur-implanted/laser-annealed silicon samples Sergey I. Kudryashov,Ivan M. Podlesnykh,Valery A. Dravin,Michael S. Kovalev,Pavel A. Chizhov,Vladislava V. Bulgakova,Alexander A. Ushakov,Yury G. Goncharov,George K. Krasin,Evgeny V. Kuzmin,Anastasiya G. Bondarenko,Pavel A. Maslov,Nikita D. Orekhov READ MORE > The potential energy surface, thermochemistry, and cooperative hydrogen bonding in the water octamer Ana Arango,Andy D. Zapata-Escobar,Santiago Gómez,Juliana Murillo-López,Albeiro Restrepo READ MORE > Excited-state-dependent chiral pathways in the photoisomerization of cis-4,4′-azopyridine Aihua Gao,Meishan Wang,Yanli Liu,Yanliang Zhao READ MORE > Capture of the steric trap state in azobenzene MOF thin films using femtosecond transient absorption spectroscopy Xu Zhang,Siyu Fang,Zhengbang Wang,Zhengrong Wei READ MORE > Medium-range ordering of interfacial water at charged clay interfaces: From layering to network connectivity Yixuan Feng,Yitian Gao,Jiale Han,Guoping Zhang,Hongwei Fang READ MORE > Relevance of aggregate anisotropy in sheared suspensions of carbon black Victor Tänzel,Fabian Coupette,Marisol Ripoll,Tanja Schilling READ MORE > Follow us on social media   Copyright © 2026 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. To guarantee delivery of this email please add alerts@aip-info.org to your address book and safe senders list. If you no longer wish to receive emails from us then please unsubscribe or amend your settings. Privacy Policy