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Molecular Physics 封面图

Molecular Physics

IF1.8
论文数178
被引数14064
期刊论文 178
发表时间
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Preface to special issue: The beauty of accurate molecular quantum mechanics, a Festschrift in honour of Zlatko Bacic特刊前言：精确分子量子力学之美——纪念Zlatko Bacic的专刊
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delete2026-05-19
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deleteCarrington, Tucker; Felker, Peter; Quack, Martin; Szalewicz, Krzysztof
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Atomic spin-orbit as spectrum-only diagnostic of molecular electronic structure原子自旋-轨道作为仅光谱的分子电子结构诊断方法
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deleteField, Robert W.; Gordon, Robert J.; Coy, Stephen L.; Bahrini, Chiheb; Varberg, Thomas D.
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First -Principles insights into water-mediated adsorption of boric acid on functionalised PVDF基于第一性原理的水介导作用下硼酸在功能化PVDF上的吸附机理
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deleteBouhara, Safia; Adjal, Celia; Hammoutene, Dalila
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Theoretical study of new energetic nitroacetylenes新型硝基乙炔的理论研究
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deleteKhakimov, Dmitry V.; Fershtat, Leonid L.
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Reactivity descriptors vs. reaction pathways in polar Diels-Alder reactions of 1-nitrocyclopentadiene: insights from MEDT极性1-硝基环戊二烯Diels–Alder反应中的反应性描述符与反应路径：MEDT的见解
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deleteLapczuk, Agnieszka; Jasinski, Radomir
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Efficient microplastic precursor capture using transition metal-functionalised hBN-cyclic[3]anthracene frameworks利用过渡金属功能化hBN-环[3]蒽烷骨架高效捕获微塑料前体
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deleteTeleb, Nahed H.; Al-Senani, Ghadah M.; Sakr, Mahmoud A. S.; Al-Qahtani, Salhah D.; Abd-Elkader, Omar H.; Abdelsalam, Hazem; Zhang, Qinfang
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Deep learning-based QSPR for predicting impact sensitivity of energetic nitro compounds基于深度学习的QSPR预测含能硝基化合物感度
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deleteXu, Yali; Jiang, Lu; Li, Jie; Fang, Zhengjun; Qiu, Jianxia
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CoFiNet: a coarse-to-fine attention network for structure-agnostic materials property predictionCoFiNet：一种用于结构无关材料性质预测的粗到精注意力网络
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deleteJia, Bangliang; Zang, Huaijuan; Zhang, Haiyan; Xu, Jiajia; Zhan, Shu
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Intercalator-dependent modulation of charge transport in DNA插入剂依赖的DNA电荷传输调控
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deletePatil, Sunil R.; Singh, Reman Kumar; Mukherjee, Arnab
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Experimental study on the vibrational relaxation mechanism and its temperature dependence for NO(v=7) molecules during collisions with H2 and N2NO(v=7)分子与H2和N2碰撞过程中的振动弛豫机制及其温度依赖性的实验研究
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deleteWu, Yuhao; Zhang, Yaqi; Liu, Jing; Lin, Jiaxin
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Chiral Pt(Me-BPCH): synthesis and theoretical investigation of parity violation sensitivity手性Pt(Me-BPCH)：奇偶性破缺敏感性的合成与理论研究
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deleteEduardus; van Boven, Wietze J.; Silva, Charles; Karageorghis, Philip J.; Bohle, D. Scott; Darquie, Benoit; Borschevsky, Anastasia; Pasteka, Lukas F.
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Infrared absorption cross sections of amines胺类的红外吸收截面
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deleteLeroux, Killian; Rizopoulos, Athena; Vander Auwera, Jean
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Lamb-dip spectroscopy of HD at cryogenic temperatures down to 12 K低温下HD的兰姆下陷光谱（最低温度达12 K）
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deleteLiu, Q. -H.; Lv, Y. -N.; Cheng, C. -F.; Hu, S. -M.
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Parity- and rotational-state-selective threshold photoionisation of MgAr by field-ionisation and Rydberg-series cross-correlation methods通过场致电离和里德堡系列交叉相关方法实现MgAr的宇称和转动态选择的阈值光致电离
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deleteKreis, Carla; Softley, Timothy P.; Merkt, Frederic
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Laser excitation of muonic 1S hydrogen hyperfine transition: effects of multi-pass cell interference激光激发μ介子氢1S超精细跃迁：多通光程细胞干涉效应
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deleteFerro, M.; Amaro, P.; Sustelo, L.; Fernandes, L. M. P.; Grundeman, E. L.; Guerra, M.; Henriques, C. A. O.; Kilinc, M.; Kirch, K.; Machado, J.; Marszalek, M.; Santos, J. P.; Antognini, A.
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Intermolecular potential of singlet O4H+ ion单线态O₄H⁺离子的分子间势能
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deleteXavier, F. George D.
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Theoretical study of low-lying electronic states of RhSi and IrSi对RhSi和IrSi低能电子态的理论研究
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deleteZhang, Kaijie; Ren, Yubing; Zou, Wenli
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Pillar[5]arene and its derivatives as anticancer drug delivery systems: a DFT studypillar[5]arene及其衍生物作为抗癌药物递送系统：一项DFT研究
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deleteMoitshepisi, Thatayothe E.; Demissie, Taye B.; Keolopile, Zibo G.
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The Italian route to quantum simulation and metrology with ultracold molecules意大利在超冷分子量子模拟与计量学领域的路线
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deleteMaddaloni, P.; Aiello, R.; Roati, G.; Santambrogio, G.; De Natale, P.
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Surveying the ground electronic state potential energy surface of the 'mysterious' CO dimer调查‘神秘的’CO二聚体基态电子势能面
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deleteBosquez, Marlene; Zuchowski, Piotr S.; Csaszar, Attila G.
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