Nanosecond Temperature-Jump Technique with an Iodine Laser
Nanosecond Temperature-Jump Technique with an Iodine Laser
复制标题
使用碘激光器的纳秒跳温技术
DOI：
10.1021/j100539a021
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发表时间：
1977
期刊：
影响因子：
--
通讯作者：
R. Volk
中科院分区：
文献类型：
--
作者：
J. Holzwarth;A. Schmidt;H. Wolff;R. Volk
(11)JA Pople和RK Nesbet，J. Chem. Phys.，21，571（1953）中所述。(12)W. J. Hehre，WA Lathan，R. Dltchfield，MD Newton和J.A. Pople，qaussian 70，程序号236，量子化学程序交换，印第安纳州大学，布卢明顿，印第安纳州，1973. (13)表面张力项的计算公式为EST= 4xy（r 02-rc ~（2）），其中r 0为空穴中心到第一层水化壳外表面的距离。RC'是假定水分子是紧密堆积的球体的类似距离。水分子被假定为半径为1.5的球体。对于四面体和八面体模型，这分别产生r 0 '= 3.337 A和rc'= 3.621 A，假设y为72 erg/cm 2（0.104 kcal/mol A2）。
(11) JA Pople and RK Nesbet, J. Chem. Phys., 21, 571 (1953).(12) W. J. Hehre, WA Lathan, R. Dltchfield, MD Newton, and J. A. Pople, qaussian 70, Program No. 236, Quantum Chemistry Program Exchange, Indiana University, Bloomington, Ind., 1973.(13) The surface tension term was calculated as EST= 4xy (r02-rc'2), where r0is the distance from the cavity center to the outer surface of the first hydrationshell. rc'is the analogous distance assuming the water molecules to be close packed spheres. The water molecules were assumedto be spheres of radius 1.5 A. This yields r0'= 3.337 A and rc'= 3.621 A for a tetrahedral and an octahedral model, respectively, y was assumed to be 72 erg/cm2 (0.104 kcal/mol A2).