basis set信息详情
[物化]基组
basis───n.基础;底部;主要成分;基本原则或原理
basis point───n.基点;基点(等于0.01%)
unexpired basis───未到期基础
molecular basis───[医]分子基础
annual basis───年度基准,以年为基础
weekly basis───每周
cash basis───[会计]现金基础;现金制;n.现金制(以现金为依据的记账法); 现金收付制
served basis───服务基础
depreciated basis───折旧基础
binding energies have been corrected by the basis set superposition error (BSSE) and zero point energies (ZPE).───组下均进行基组叠加误差(BSSE)和零点能(ZPE)校正求得结合能。
Ab initio DFT/B3LYP calculations at 6—31G basis set level were carried out for the possible product radicals of guanine attacked by·OH.───DFT)理论中B3LYP方法在6— 31G基组水平上对鸟嘌呤(G)受羟基自由基进攻形成的各种可能产物自由基进行几何全优化。
Moreover, influence of basis set effect upon TDHF calculation is also discussed.───此外,还讨论了基组效应对含时耦合微扰计算的影响。
On this basis, set out in internal accounting control of the role.───在此基础上,阐明了会计在企业内部控制中所扮演的角色。
From the basis set out here a number of further functions may be developed and used in the calculation of filtration problems.───根据本文提出的基本原理,可以求得其它一些函数,以用于计算各种过滤问题。
coordinates; Linear variation; Non-orthogonal basis set;───超球坐标;线性变分;非正交基;
Touche Ross has audited this pro-forma and states that it is properly prepared on the basis set out.
If we assign the direction of the calculated dipole moment from negative to positive, then the dipole moment calculated from STO—GTF minimum basis set is comparable with the experimental results.
The ledger account is basis set the general ledger.
- basis vector
- alkali metal alloy
- alkali marsh
- death comes from life
- basis weight
- death comes soon
- alkali metal alkyl
- alkali metal amides
- boviklee
- additional survey
- are made up of
- basiscopic
- additional tasks
- drug registration
- autonomicdeath
- energy conservation and management
- death comes true
- exact departure time
- energy conservation a shift
- alkali metal catalyst
- css table