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浏览/检索结果: 共16条，第1-10条 帮助 限定条件 发表日期：2001    专题：厦门大学    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 Ab initio calculation of F-19 NMR chemical shielding for alkaline-earth-metal fluorides 期刊论文 2001 Cai, S. H.; Chen, Z.; Lu, X.; Chen, Z. W.; Wan, H. L.; 万惠霖 收藏  |  浏览/下载：5/0  |  提交时间：2013/12/12 RELATIVISTIC EFFECTIVE POTENTIALS  DENSITY-FUNCTIONAL CALCULATIONS  SPIN-ORBIT OPERATORS  SHIFTS CALCULATIONS  SOLID-STATE  TENSORS  C-13  DFT  PROPANES   Ab initio multireference configuration interaction study of the electronic spectra of carbon chain anions C-2n+1(-) (n=2-5) 期刊论文 http://dx.doi.org/10.1063/1.1385364, 2001 Cao, ZX; Peyerimhoff, SD; Grein, F; Zhang, Q; 曹泽星 收藏  |  浏览/下载：2/0  |  提交时间：2013/12/12 ABSORPTION-SPECTRA  NEON MATRICES  CLUSTERS  SPECTROSCOPY  MOLECULES  C-2N(-)  C-6(-)   Studies of Linear CnSe- (1 <= n <= 11) clusters produced from laser ablation: Collision-induced dissociation and ab initio calculations 期刊论文 http://dx.doi.org/10.1021/mp004313s, 2001 Wang, H. Y.; Huang, R. B.; Chen, H.; Lin, M. H.; Zheng, L. S.; 黄荣彬 收藏  |  浏览/下载：2/0  |  提交时间：2013/12/12 ELECTRON DETACHMENT ENERGIES  ABSOLUTE BINDING-ENERGIES  DENSITY-FUNCTIONAL THEORY  SMALL CARBON CLUSTERS  SHORT-CHAIN ALCOHOLS  CNN CLUSTERS  FRAGMENTATION ENERGIES  VIBRATIONAL-SPECTRA  ABSORPTION-SPECTRA  SIZE DISTRIBUTIONS   Studies of Linear CnSe- (1 <= n <= 11) clusters produced from laser ablation: Collision-induced dissociation and ab initio calculations 期刊论文 http://dx.doi.org/10.1021/mp004313s, 2001 Huang,RB; Chen,H; Wang,HY; Lin,MH; Zheng,LS; 林梦海 收藏  |  浏览/下载：3/0  |  提交时间：2013/12/12 ELECTRON DETACHMENT ENERGIES  ABSOLUTE BINDING-ENERGIES  DENSITY-FUNCTIONAL THEORY  SMALL CARBON CLUSTERS  SHORT-CHAIN ALCOHOLS  CNN CLUSTERS  FRAGMENTATION ENERGIES  VIBRATIONAL-SPECTRA  ABSORPTION-SPECTRA  SIZE DISTRIBUTIONS   Studies of Linear CnSe- (1 <= n <= 11) clusters produced from laser ablation: Collision-induced dissociation and ab initio calculations 期刊论文 http://dx.doi.org/10.1021/mp004313s, 2001 Wang, H. Y.; Huang, R. B.; Chen, H.; Lin, M. H.; Zheng, L. S.; 郑兰荪 收藏  |  浏览/下载：1/0  |  提交时间：2013/12/12 ELECTRON DETACHMENT ENERGIES  ABSOLUTE BINDING-ENERGIES  DENSITY-FUNCTIONAL THEORY  SMALL CARBON CLUSTERS  SHORT-CHAIN ALCOHOLS  CNN CLUSTERS  FRAGMENTATION ENERGIES  VIBRATIONAL-SPECTRA  ABSORPTION-SPECTRA  SIZE DISTRIBUTIONS   Theoretical characterization of photoisomerization channels of dimethylpyridines on the singlet and triplet potential energy surfaces 期刊论文 2001 Cao, ZX; 曹泽星; Zhang, QN; 张乾二; Peyerimhoff, SD 收藏  |  浏览/下载：1/0  |  提交时间：2012/06/06 ab initio calculations  dimethylpyridine  isomerization  photochemistry  photoisomerization   Adsorption, isomerization and decomposition of HCN on Si(100)2 x 1: A computational study with a double-dimer cluster model 期刊论文 2001 Bacalzo-Gladden, F; Lu, X; 吕鑫; Lin, MC 收藏  |  浏览/下载：3/0  |  提交时间：2012/06/05 A multifacet mechanism for the OH+HNO3 reaction: An ab initio molecular orbital/statistical theory study 期刊论文 http://dx.doi.org/10.1063/1.1337061, 2001 Xia, WS; Lin, MC; 夏文生 收藏  |  浏览/下载：4/0  |  提交时间：2015/07/22 DENSITY-FUNCTIONAL THERMOCHEMISTRY  THERMAL UNIMOLECULAR REACTIONS  TRANSITION-STATE-THEORY  NITRIC-ACID  RATE-CONSTANT  HYDROXYL RADICALS  LOW-PRESSURES  + HNO3  OH  LOOSENESS   Diels-Alder addition of some 6-and 5-member ring aromatic compounds on the Si(001)-2x1 surface: dependence of the binding energy on the resonance energy of the aromatic compounds 期刊论文 2001 Lu, X; 吕鑫; Lin, MC; Xu, X; 徐昕; Wang, NQ; 王南钦; Zhang, QN; 张乾二 收藏  |  浏览/下载：1/0  |  提交时间：2012/05/29 silicon  aromatic compound  adsorption  Diels-Alder reaction  cluster model  density functional theory   Protonation reactions of MH(Cl)(PPh3)(2)(norbornadiene) (M = Ru, Os) 期刊论文 2001 Liu, S. H.; Yang, S. Y.; Lo, S. T.; Xu, Z. T.; Ng, W. S.; Wen, T. B.; Zhou, Z. Y.; Lin, Z. Y.; Lau, C. P.; Jia, G. C.; 温庭斌 收藏  |  浏览/下载：4/0  |  提交时间：2013/12/12 TRANSITION-METAL COMPLEXES  DIHYDROGEN COMPLEXES  CRYSTAL-STRUCTURE  SELECTIVE HYDROGENATION  CATALYTIC-HYDROGENATION  CARBONYL-COMPOUNDS  HALIDE-COMPLEXES  OSMIUM COMPLEXES  RUTHENIUM  LIGANDS