Page 12 - Valence Bond Methods. Theory and Applications
P. 12
xi
16.1.2 Ethylene
16.1.3 Cyclopropane with a 6-31G basis
218
224
16.1.4 Cyclopropane with an STO-3G basis
225
16.2 Formaldehyde, H 2 CO Contents ∗ 215
16.2.1 The least motion path 226
16.2.2 The true saddle point 227
16.2.3 Wave functions during separation 228
References 231
Index 235
