Search Results

• Five New Ab Initio Potential Energy Surfaces for the O(3P,1D)+H2 System

  Pei‐Yu Zhang, Shuang‐Jiang Lv

  2013-02-06

  45983 2848 Pages:63-71

• Effect of Molecule Coverage on Nitric Oxide Reduction Reaction on Cu(111)

  Haoran Li, Ying Dai, Baibiao Huang, Wei Wei

  2025-09-05

  241 142 Pages:24-28 Open-access

• Sodium Electron Solvation and Reactivity at Water Surface

  Hui Dong, Yuxiang Bu

  2025-09-05

  262 136 Pages:13-23 Open-access

• Benchmarking Density Functional Theory for Noble Metal Hydrides: A High-Fidelity PES and Vibrational Analysis of the ${\rm AgAuH}^−$ Anion

  Yuquan Feng, Kaiyi Zhao, Jun Chen

  2025-09-05

  2217 228 Pages:274-280

• Theoretical Treatment of Ultrafast Decay of Excited Vibronic States in the Improved Adiabatic Approximation

  Jian Lei & Rongxing He

  2022-05-18

  28019 2030 Pages:110-120

• Extensive Ab Initio Study on the Low-Lying Excited States of SiBr+ Including Spin-Orbit Coupling

  Hong-Sheng Zhai, Xiao-Mei Zhang & Yu-Fang Liu

  2013-01-01

  28467 1919 Pages:351-361

• Synthesis, Structure Investigation, Spectral Characteristics and Biological Activities of 4-Benzyl-3-(2-Hydroxyphenyl)-1H-1,2,4-Triazole-5(4H)-Thione

  Metin Koparir, Cahit Orek, Naci Ömer Alayunt, Akif Evren Parlak, Pelin Koparir, Kamiran Sarac, Sevgi Durna Dastan, Nevin Cankaya

  2013-01-01

  25914 1884 Pages:244-268