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Density functional theory calculations of nitrogen and oxygen equilibrium isotope fractionations in NO3--NO2--H2O aqueous system reveal inverse kinetic isotope effects during nitrite oxidation 期刊论文
APPLIED GEOCHEMISTRY, 2022, 卷号: 139, 页码: 11
作者:  He YY(何雨旸);  Li, Long
Adobe PDF(4204Kb)  |  收藏  |  浏览/下载：135/30  |  提交时间：2022/07/18
Reduced partition function ratio  Nitrate reduction  Water-droplet model  Solvent effect  Inverse kinetic isotope effect  
Spin-affected reflexive and stretching separation of off-center droplet collision 期刊论文
PHYSICAL REVIEW FLUIDS, 2022, 卷号: 7, 期号: 1, 页码: 25
作者:  He CM(何成明);  Yue LJ(岳连捷);  Zhang,Peng
Adobe PDF(6741Kb)  |  收藏  |  浏览/下载：189/33  |  提交时间：2022/03/05
Nitrogen isotope fractionations among gaseous and aqueous NH4+ NH3, N-2, and metal-ammine complexes: Theoretical calculations and applications 期刊论文
GEOCHIMICA ET COSMOCHIMICA ACTA, 2021, 卷号: 295, 页码: 80-97
作者:  Li, Long;  He YY(何雨旸);  Zhang, Zhe;  Liu, Yun
Adobe PDF(870Kb)  |  收藏  |  浏览/下载：243/82  |  提交时间：2021/03/30
Nitrogen isotope fractionation  Ammonium  Metal-ammine complex  Ammonia degassing  Hydrothermal fluid  
Predicting nitrogen and oxygen kinetic isotope effects of nitrate reduction by periplasmic dissimilatory nitrate reductase 期刊论文
GEOCHIMICA ET COSMOCHIMICA ACTA, 2021, 卷号: 293, 页码: 224-239
作者:  He YY(何雨旸);  Zhang, Yining;  Zhang, Siting;  Liu, Yun
Adobe PDF(1099Kb)  |  收藏  |  浏览/下载：307/89  |  提交时间：2021/03/03
Transition state theory  Density functional theory  Cutoff model  Solvent effect  Molybdenum enzyme  
A COMPUTATIONAL MODEL FOR SPINNING EFFECTS ON POST-COLLISION VELOCITIES OF BOUNCING DROPLETS 期刊论文
ATOMIZATION AND SPRAYS, 2021, 卷号: 31, 期号: 10, 页码: 43-61
作者:  He CM(何成明);  Yue LJ(岳连捷);  Zhang, Peng
Adobe PDF(4416Kb)  |  收藏  |  浏览/下载：176/38  |  提交时间：2021/11/01
spinning droplets  droplet bouncing  post-collision characteristics  angular momentum  volume-of-fluid