pess
英
美
网络 丙炔嗡盐; 平中; 供应丙炔嗡盐; 势能面; 预测误差平方和
双语例句
- According to the form of Morse function, we found that the PESs of N-N bond dissociation reaction in large molecule can be obtained by fitting Morse parameters using a polynomial function.
另外，论文用多种方法研究了DMNA和NH2NO2中N-N键断裂反应的势能面，根据Morse函数形式，提出可用于较大分子中N-N键断裂的势能面计算的拟合Morse参数方法。 - The results provided a scientific basis for the integrated control of the coastal Casuarina forest pess and diseases.
为沿海防护林木麻黄病虫害的综合控制提供科学依据。 - The supermolecular and perturbation approaches are in general complementary rather than competitive in calculating and modeling accurate potential PESs ( potential energy surfaces, PES). Method: This study consists of two parts.
在计算与模拟精确势能面（PES）时，超分子方法与微扰方法有效的结合，可以相互补充。 - Objective The surgical treatment of 16 cases of patients with primary empty sella syndrome ( PESS) who presented with various symptoms and signs were reported.
目的报道16例合并有各种症状和体征的原发性空蝶鞍综合征（primaryemptysellasyndrome，PESS）患者的手术治疗。 - Objective To analyze MR imaging features of primary empty sella syndrome ( PESS) and explore diagnostic value of MR imaging in PESS.
目的：分析原发性空蝶鞍综合征的MRI影像表现，探讨MRI对原发性空蝶鞍综合征的诊断价值。 - The crossing point between singlet and triplet potential energy surfaces ( PESs) results in the stable product triplet V ( OH) 2+ in the two-electron mechanism.
双电子机理中，单重态势能面和三重态势能面的交叉导致稳定产物为三重态V（OH）2+。 - The two-electron mechanism may be kinetically competitive with the one-electron mechanism only if the spin inversion between singlet and triplet PESs occurs easily, while, the one-electron mechanism is energetically more favorable than the two-electron mechanism.
仅仅当自旋交叉很容易发生的时候，双电子机理才可能与单电子机理在动力学上相互竞争。但是，在热力学上单电子机理明显比双电子机理占优势。 - For the H+ HBr abstraction reaction, the calculated rate constants using our adiabatic potential were found to be agreed with the measurements quite well in a wide range of temperature, much better than those obtained from previous PESs.
对于H+HBr抽取反应，我们的绝热势能面在较大的温度区域很好的重现了实验测得的速率常数，比以前的势能面有很大的改进。 - Herein, we explore the intersection between the singlet and triplet PESs of the F+ N3 system with high-level ab initio methods and discuss the possible role of this intersection on the dynamics.
因此本文用高水平的从头算方法研究了FN3单重态和三重态的势能面交叉并讨论其在反应途径中可能起到的作用。