Index
277
Systematic error, 194, 195, 234, 238, 239,
246, 249, 251, 253, 254, 257, 258,
261
T
Template TM approach, 31
Thermal-average structure, 177, 199
Torsional angle, see Dihedral angle
V
Valence-Shell Electron-Pair Repulsion
(VSEPR), 205, 211, 215, 218
Van der Waals equation, 209
Van der Waals radius, 206, 209, 210
Van der Waals repulsion, 39
Variance, 237, 240, 241, 244, 247, 253, 257
Variance-covariance matrix, 235, 240, 241,
248, 250, 254
Variance-decomposition proportions, 236,
241, 243, 252
Vibrating rotor, 61
Vibrational frequency, 55–57, 59, 64, 113,
118
Vibrationally excited state, 131
Vibrational satellites, 62
Vibration-rotation interaction constant, 65,
90, 128
Virial theorem, 62
Visualization of statistical results, 268
W
Weakly bound complexe, 128, 151
Weighted least-squares, 233, 234, 238, 245,
246, 250, 251
Y
Y 01 , first Dunham coefficient, 71
Z
Zeeman effect, 67, 92
Zero-point structure, 69
Z-matrix, 233