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	Prediction of C NMR Chemical Shifts of Quinolone Derivatives Based on DFT Calculations 期刊论文 Journal of Structural Chemistry, 2019, 卷号: Vol.60 No.5, 页码: 772-779 作者: X. L. Yu; J. Y. Deng; J. F. Chen; H. Q. Yang 收藏 \| 浏览/下载：9/0 \| 提交时间：2019/12/13 13C NMR chemical shifts DFT complete set of descriptors genetic algorithm MLR SVM
	Correlation between C NMR chemical shifts and complete sets of descriptors of natural coumarin derivatives 期刊论文 Chemometrics and Intelligent Laboratory Systems, 2019, 卷号: Vol.184, 页码: 167-174 作者: Xinliang Yu; Lisha Xu; Yali Zhu; Shuo Lu; Limin Dang 收藏 \| 浏览/下载：15/0 \| 提交时间：2019/12/13 Complete set Density functional theory NMR chemical shifts Quantitative structure-property relationship Coumarin derivatives Support vector machine
	Correlation between 13C NMR chemical shifts and complete sets of descriptors of natural coumarin derivatives. 期刊论文 Chemometrics & Intelligent Laboratory Systems, 2019, 卷号: Vol.184, 页码: 167-174 作者: Yu, Xinliang; Xu, Lisha; Zhu, Yali; Lu, Shuo; Dang, Limin 收藏 \| 浏览/下载：10/0 \| 提交时间：2019/12/13 Complete set Coumarin derivatives Density functional theory NMR chemical shifts Quantitative structure-property relationship Support vector machine
	Prediction of 13C NMR Chemical Shifts of Quinolone Derivatives Based on DFT Calculations. 期刊论文 Journal of Structural Chemistry, 2019, 卷号: Vol.60 No.5, 页码: 772-779 作者: Yu, XL; Deng, JY; Chen, JF; Yang, HQ 收藏 \| 浏览/下载：7/0 \| 提交时间：2019/12/17 13C NMR chemical shifts complete set of descriptors DFT genetic algorithm MLR SVM
	Understanding the effect of molecular solvents on the microscopic network of DBU imidazole ionic liquid 期刊论文 Journal of Molecular Liquids, 2019, 卷号: Vol.276, 页码: 325-333 作者: Xiao Zhu; Mengling Song; Sihan Wang; Sheng Dai 收藏 \| 浏览/下载：2/0 \| 提交时间：2019/12/13 Ionic liquid LC model 1H NMR chemical shifts Binary solutions Physicochemical properties
	Correlation between C NMR chemical shifts and complete sets of descriptors of natural coumarin derivatives 期刊论文 Chemometrics and Intelligent Laboratory Systems, 2018 作者: Xinliang Yu; Lisha Xu; Yali Zhu; Shuo Lu; Limin Dang 收藏 \| 浏览/下载：3/0 \| 提交时间：2019/12/26 Complete set Density functional theory NMR chemical shifts Quantitative structure-property relationship Coumarin derivatives Support vector machine
	核磁共振氢谱测定盐酸浓度的探讨期刊论文分析科学学报, 2015 史艺文; 李钦; 林崇熙收藏 \| 浏览/下载：6/0 \| 提交时间：2017/12/03 盐酸简易核磁共振氢谱化学位移毛细管内标标准曲线 HCl Facile H-NMR Chemical shifts Internal capillary tube reference Standard curve
	Comparison of the 13C (C = N) chemical shifts of substituted N-(phenyl-ethylene)-anilines and substituted N-(benzylidene)-anilines 期刊论文 Journal of Physical Organic Chemistry, 2015, 卷号: Vol.28 No.8, 页码: 564-569 作者: Cao, Zhongzhong; Cao, Chaotun; Cao, Chenzhong 收藏 \| 浏览/下载：4/0 \| 提交时间：2019/12/31 13C NMR chemical shifts excited-state substituent parameter inductive effect of substituent N-(phenyl-ethylene)-anilines substituent specific cross-interaction effect
	N-aryl-substituted anthranilamides with intramolecular hydrogen bonds 期刊论文 TETRAHEDRON, 2014, 卷号: 70, 期号: 45, 页码: 8588-8591 作者: Wang, Li-Xia; Hu, Ben-Quan; Xiang, Jun-Feng; Cui, Jie; Hao, Xiang 收藏 \| 浏览/下载：19/0 \| 提交时间：2019/04/09 Nmr Spectroscopy N-aryl-substituted Anthranilamides Intramolecular Hydrogen Bonds Chemical Shifts Crystal Structure
	Advances in relativistic molecular quantum mechanics 期刊论文 physics reports review section of physics letters, 2014 Liu, Wenjian 收藏 \| 浏览/下载：7/0 \| 提交时间：2015/11/10 Quantum electrodynamics Virtual pair effects Electron self-energy Electron vacuum polarization Charge conjugation symmetry Charge-conjugated contraction No-pair approximation Relativistic Hamiltonians Quasi-four-component Exact two-component Relativistic wave functions Relativistic coalescence conditions Relativistic explicit correlations Relativistic theory of nuclear magnetic resonance Relativistic theory of nuclear spin-rotation DENSITY-FUNCTIONAL THEORY COMPLEX-COORDINATE ROTATION CORRELATED WAVE-FUNCTIONS MEAN-FIELD APPROXIMATION ELECTRON-POSITRON FIELD NMR CHEMICAL-SHIFTS CLOSED-SHELL ATOMS BASIS-SET NONRELATIVISTIC METHODS DIRAC-EQUATION

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