能量换算因子.docVIP

2. 能量换算因子? 　 波数 频率 能量E 分子能量Em 温度T 　 cm-1 MHz ×10-18J eV Hartree kJ/mol kcal/mol K 1 cm-1 1 2.997925×104 1.986447×10-5 1.239842×10-4 4.556335×10-6 1.196266×10-2 2.85914×10-3 1.438769 1 MHz 3.33564×10-5 1 6.626076×10-10 4.135669×10-9 1.519830×10-10 3.990313×10-7 9.53708×10-8 4.79922×10-5 1 aJ 50341.1 1.509189×109 1 6.241506 0.2293710 602.2137 143.9325 7.24292×104 1 eV 8065.541 2.417988×108 0.1602177 1 3.674931×10-2 96.4853 23.0605 1.16045×104 1 Hartree 219474.63137 6.579684×109 4.359748 27.21138 1 2625.500 627.510 3.15773×105 1 kJ/mol 83.5935 2.506069×106 1.660540×10-3 1.036427×10-2 3.808798×10-4 1 0.239006 120.272 1 kcal/mol 349.755 1.048539×107 6.947700×10-3 4.336411×10-2 1.593601×10-3 4.18400 1 503.217 1 K 0.695039 2.08367×104 1.380658×10-5 8.61738×10-5 3.16683×10-6 8.31451×10-3 1.98722×10-3 1 其它能量换算因子： 1 kcal/mol = 6.948×10-14 erg1 eV = 1.602×10-12 erg1 Hartree = 4.36×10-11 erg = 2 Rydberg1 erg = 1.439×1013 kcal/mol = 6.2415×1011 eV = 2.2937×1010 Hartree = 5.034×1015 cm-1