P1: OSO
ind JWBS043-Rogers September 24, 2010 12:57 Printer Name: Yet to Come
372 INDEXEnthalpy of activation, 351
Enthalpy of formation, 57, 64
from classical mechanics, 64
indirect, 59
of hydrogenation, 61, 65–66
Enthalpy of fusion, 92, 200
Enthalpy of vaporization, 129
Enthalpy, 305
Entropy, 71, 99, 113
and probability, 113
and the second Law, 71
from the van’t Hoff equation, 99
Entropy changes, 74
chemical reactions, 78
expansion, 75
heat transfer, 77
heating and expansion, 75
heating, 74
mixing, 77
of transition, 75
Entropy of activation, 354
Entropy, enthalpy, and Gibbs free energy
changes for mixing, 183
Equations of state, 4
Equilibrium, 93, 94, 108
and free energy, 99
Equilibrium constantKeq, 73, 97
as a quotient of quotients, 88
statistical approach, 117
sodium vapor, 117
variation with temperature, 97
Equilibrium, 108
Equilibrium, 94, 108
general formulation, 94
Euler’s reciprocity relationship, 36,
76
Eutectic mixture, 137
Exact differentials, 36
Excluded volume, 29
Expectation value, 17
Experimental determination of molecular
structure, 287
Experimental determination of the rate
equation, 154
Extensive variable, 6
Extent of reaction, 96
Extrapolation to E◦, 226, 227
Eyring reaction path, 350
Eyring theory of reaction rates, 349Failure of perpetual motion, 39
Faraday (unit), 211
Faraday, 205
Faraday’s laws, 211
Favorable and unfavorable orbital overlap,
263
First law of thermodynamics, 35–36
First-order radioactive decay, 146
First-order rate laws, 144–145
Flash photolysis, 154
Fluid, 25
Fluorescence, 160–161, 345
mechanism of, 346
Force constants and parameters, 308
Force fields, 308, 310
Frankenstein, 220
Free electron model, 292
Free energies of formation, 85
Free energy and equilibrium, 102
in biochemical systems, 102
Free energy, 87
of reaction, 87
of formation, 90
of methane, 90
Free solvent, 194
Freezing point of water, 195
Fugacity, 97
coefficient, 98
Fundamental thermodynamic identities,
86
Further basis set improvements, 336G3(MP2), 338
Gain medium, 348
Galvani, 220
GAMESS, 330, 340
calculation of methane, 340
control lines, 341
file for the hydrogen molecule, 330
Gas constant, 13
Gaussian approximation, 272
Gaussian basis set, 324
Gaussian distribution, 7
in hyperspace, 10
Gaussian distribution, 7
Gaussiangeninput, 273
for the hydrogen atom, 273
energies, 273
GAUSSIAN©Cinput for hydrogen, 330