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浏览/检索结果: 共4条，第1-4条 帮助 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 Relativistic GVVPT2 Multireference Perturbation Theory Description of the Electronic States of Y-2 and Tc-2 期刊论文 journal of physical chemistry a, 2014 Tamukong, Patrick K.; Hoffmann, Mark R.; Li, Zhendong; Liu, Wenjian 收藏  |  浏览/下载：2/0  |  提交时间：2015/11/11 TRANSITION-METAL ATOMS  RARE-GAS MATRICES  ANO BASIS-SETS  SPIN-RESONANCE  GROUND-STATE  TECHNETIUM  DIMERS  SPECTROSCOPY  MOLECULES  MANGANESE   Computer simulation of rare-gas atoms injection into single-wall carbon nanotube 期刊论文 2010, 2010 Cui, F.Z.; Ma, J.; Huo, D.Y.; Chen, Z.J. 收藏  |  浏览/下载：3/0 Simulation study on radius dependence in rare-gas atoms injection into single-wall carbon nanotubes 期刊论文 2010, 2010 Ma, J; Huo, DY; Cui, FZ 收藏  |  浏览/下载：3/0 The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties 期刊论文 http://dx.doi.org/10.1073/pnas.0308730100, 2004 Xu, X; Goddard, WA; 徐昕 收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22 GENERALIZED-GRADIENT APPROXIMATIONS  HIGHLY CORRELATED SYSTEMS  MOLECULAR NEGATIVE-IONS  GAUSSIAN-BASIS SETS  RARE-GAS ATOMS  CORRELATION ENERGIES  DIATOMIC-MOLECULES  EXCHANGE  ELECTRON  APPLICABILITY