Quantum Chemistry Topic Alert

Read the latest articles in Quantum Chemistry View in Browser OUR JOURNALS MANAGE MY ALERTS ABOUT AIP PUBLISHING Quantum Chemistry  May 2025 Topic Alert ALL ARTICLES > Optical spectroscopy of defects in atomically thin transition metal dichalcogenides Frederico B. Sousa,Kazunori Fujisawa,Felipe Menescal,Matheus J. S. Matos,Marcos A. Pimenta,Helio Chacham,Mauricio Terrones,Leandro M. Malard,Bruno R. Carvalho READ MORE > Concurrent high thermal conductivity and high carrier mobility in tetragonal tantalum nitride Xianyong Ding,Xin Jin,Dengfeng Li,Jing Fan,Xiaoyuan Zhou,Xuewei Lv,Xiaolong Yang,Zhenxiang Cheng,Rui Wang READ MORE > What more can be done with XPS? Highly informative but underused approaches to XPS data collection and analysis Donald R. Baer,Merve Taner Camci,David J. H. Cant,Scott A. Chambers,Hagai Cohen,Pinar Aydogan Gokturk,David J. Morgan,Andrey Shchukarev,Peter M. A. Sherwood,Sefik Suzer,Sven Tougaard,John F. Watts READ MORE > Rules of triplet state electron impact neutral dissociation in plasma from molecular dynamics simulations and an electrophore model Ryan Brook,Oliver Bramley,Dmitry V. Makhov,Anna Nelson,Gregory Armstrong,Joseph Yong,Ezri Saunders,Johnny de Viggiani,Jonathan Tennyson,Dmitrii V. Shalashilin READ MORE > Development of a multiphase equation of state for gallium with experiments and ab initio free-energy calculations Christine J. Wu,Philip C. Myint,Stanimir A. Bonev,Carrie J. Prisbrey READ MORE > Cryogenic optically detected magnetic resonance (ODMR) platform based on all-room-temperature scanning systems Yixuan Wang,Jinpeng Liu,Xi Kong,Min Li,Wentao Ji,Mengqi Wang,Xiangyu Ye,Peihan Lei,Haodong Wang,Ya Wang,Pengfei Wang,Qi Zhang,Fazhan Shi,Jiangfeng Du READ MORE > Eckhaus instability in the Sutton problem: Dynamics of two interacting modes J. A. Gianfrani,D. A. S. Rees READ MORE > Study on declination angle of diamond indenter on TiAl alloy nanoindentation Lijun Chen READ MORE > A first-principles study of the stability of the diamond(111)/WC(001)/Cu(111) interface Jie Liu,Xuekun Chen,Sijie Duan,Sida Xia,Xijun Wu READ MORE > A theoretical study on characteristic wavelength of silicon conduction electrons Hiroshi Watanabe READ MORE > Simulation of sympathetic cooling of helium-like 9Be2+ Kai Zhu (朱凯),朱凯,Hong-fang Song (宋红芳),宋红芳 READ MORE > Molecular dynamics simulating collision cascade in irradiated Ni–Fe alloy with uniaxial strain Changchang Chen,Ye Li,Shangting Jiang,Junli Yin,Xinlin Wang READ MORE > The effect of temperature and dopant concentration on the ferromagnetic properties of manganese-doped cadmium selenide (Cd1−xMnxSe) diluted magnetic semiconductors Zeleke Deressa Gerbi READ MORE > Chaotic dynamic characteristics during the long time evolution of wave trains Shuya Xie (解淑亚),解淑亚,Aifeng Tao (陶爱峰),陶爱峰,Jun Fan (范骏),范骏,Gang Wang (王岗),王岗,Jinhai Zheng (郑金海),郑金海 READ MORE > Role of quantum corrections to the kinetic energy and three-body interactions on the thermodynamic properties of neon Ulrich K. Deiters,Richard J. Sadus READ MORE > An atomic-scale investigation of structural transitions in ruthenium induced by x-ray free-electron lasers Xue Hai,Ya-Ru Yin,Ya-Jun Tong,Xiao-Feng Zhang,Han Wang,Fei-Fei Zhang,A-Li Wen,Cui-Lan Ren,Ping Huai READ MORE > Valence fluctuations in Co-doped FeSn antiferromagnetic kagome semimetal Kritika Vijay,Rajeev Joshi,Kranti Kumar,Sudip Nath,Soma Banik READ MORE > Experimental realization of topological photonic quasicrystals with the eightfold rotational symmetry Shiyu Liu,Huitong Zhang,Liwei Shi,Enyuan Wang,Yuting Yang READ MORE > High-field electron transport properties of β-Ga2O3: An integrated Monte Carlo and first-principles approach Zhigao Xie,Chee-Keong Tan,Ming-Cheng Cheng READ MORE > Silicon-based van der Waals heteroepitaxy of PbSe with room-temperature sensitive mid-infrared response Yu Wan,Jiafeng Hu,Yan Lu,Kangmin Leng,Zhendong Wang,Shengpeng Yuan,Zhe Cheng,Qisheng Wang READ MORE > Interfacial thermal transport suppression by hydrogen insertion in an epitaxial Al/Si heterostructure Menglin Chang,Ziyuan Yuan,Nianjie Liang,Xing Fan,Yuxi Wang,Jiayi Li,Yu Deng,Xue-Jun Yan,Ming-Hui Lu,Bai Song,Hong Lu READ MORE > Tunable spin-valley states in collinear-antiferromagnetic Janus Re2X3Y3 (X, Y I, Br, Cl; X ≠ Y) monolayers Xiaosong Zhao,Yukai An READ MORE > Ultrahigh electron mobility in one-dimensional single-chain Bi4RuX2 (X = I, Br) Xinyi Li,Xinyu Song,Ke Peng,Bowen Chen,Wen Lei,Xing Ming READ MORE > Robust and tunable oxide nanoscrolls for solar-driven H2 generation and storage Adway Gupta,Arunima K. Singh READ MORE > Broad-pH-value photocatalyst of Janus MXene monolayers functionalized with group VIA elements Hao-Hao Yang,Ze-Shan Liu,Jiao Zhao,Shi-Yun Zheng,Yao Zhao,Yan-Ru Kang,You-Jin Zheng,Yi-Ming Cao,Kun Xu,Qi Chen,Fang-Biao Wang,Xin Fan READ MORE > Electronic structure regulation via heterojunction engineering for enhanced oxygen reduction reaction Shuaishuai Cheng,Weidong Xing,Yahui Wang,Qile Zhao,Jinfang Wu,Xuerong Zheng,Wenbo Wang READ MORE > Modern applications of X-ray photoelectron spectroscopy XPS has been used for decades to examine surface composition and chemistry. But lesser-known approaches can reveal a range of additional information from electrical measurements to nanostructures. Mara Johnson-Groh 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 because you opted in to receive free content alerts from AIP Publishing. 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