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浏览/检索结果: 共7条，第1-7条 帮助 限定条件 专题：北京大学    第一署名单位    第一作者单位    通讯作者单位     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Critical Assessment of TD-DFT for Excited States of Open-Shell Systems: I. Doublet-Doublet Transitions 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016 Li, Zhendong; Liu, Wenjian 收藏  |  浏览/下载：5/0  |  提交时间：2017/12/03 DENSITY-FUNCTIONAL THEORY  COUPLED-CLUSTER METHOD  MULTIREFERENCE PERTURBATION-THEORY  MOLECULAR-EXCITATION ENERGIES  LINEAR-RESPONSE THEORY  WAVE-FUNCTION  PEPTIDE RADICALS  PROGRAM PACKAGE  ORBITAL THEORY  SPIN-DENSITY   Numerical simulations of piecewise deterministic Markov processes with an application to the stochastic Hodgkin-Huxley model 其他 2016-01-01 Ding, Shaojie; Qian, Min; Qian, Hong; Zhang, Xuejuan 收藏  |  浏览/下载：5/0  |  提交时间：2017/12/03 CHEMICALLY REACTING SYSTEMS  CHANNEL FLUCTUATIONS  ACTION-POTENTIALS  KINETICS  MEMBRANE  ALGORITHM  EQUATIONS  DYNAMICS   Efficient Unidirectional Optical Coupling for Hybrid Plasmonic Waveguide 期刊论文 ieee photonics technology letters, 2014 Ho, Chih-Chun; Lu, Fan; Li, Kun; Liu, Dalin; Xu, Anshi 收藏  |  浏览/下载：2/0  |  提交时间：2015/11/10 Engineered photonic nanostructures  hybrid plasmonic waveguides  gratings  SURFACE-PLASMONS  LIGHT  SLIT  TRANSMISSION  COMPONENTS  SCALE   A Generalized Framework Model for the Simulation of Gas Production in Unconventional Gas Reservoirs 期刊论文 spe journal, 2014 Wu, Yu-Shu; Li, Jianfang; Ding, Didier-Yu; Wang, Cong; Di, Yuan 收藏  |  浏览/下载：8/0  |  提交时间：2015/11/16 POROUS-MEDIA  FLUID-FLOW   A generalized framework model for the simulation of gas production in unconventional gas reservoirs 会议论文 Wu, Yu-Shu; Li, Jianfang; Ding, Didier-Yu; Wang, Cong; Di, Yuan 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/17 Development and application of a master-slave parallel hybrid multi-objective evolutionary algorithm for groundwater remediation design 期刊论文 environmental earth sciences, 2013 Yang, Yun; Wu, Jianfeng; Sun, Xiaomin; Wu, Jichun; Zheng, Chunmiao 收藏  |  浏览/下载：4/0  |  提交时间：2015/11/11 Groundwater remediation  Multi-objective optimization  Niched Pareto tabu search combined with a genetic algorithm  Niched Pareto tabu search  Parallel computing  Massachusetts military reservation (MMR)  GENETIC ALGORITHM  COASTAL AQUIFERS  OPTIMIZATION  SEARCH  MANAGEMENT   Geometry and binding properties of different multiple-state glycine-Fe+/Fe2+ complexes 期刊论文 journal of physical organic chemistry, 2005 Ai, HQ; Bu, YX; Li, P; Li, ZQ; Hu, XQ; Chen, ZD 收藏  |  浏览/下载：4/0  |  提交时间：2015/11/12 DFT calculations  glycine-Fe+/Fe2+ complexes  structures  relative energies  binding energies  binding energy analysis  QUADRATIC CONFIGURATION-INTERACTION  COUPLED-CLUSTER SINGLES  TRANSITION-METAL IONS  SET MODEL CHEMISTRY  GAS-PHASE  MOLECULAR-INTERACTIONS  TOTAL ENERGIES  CONFORMATIONAL BEHAVIOR  ELECTRON CORRELATION  1ST-ROW ELEMENTS