Physical Chemistry 3: — Chemical Kinetics — - Christian-Albrechts ...
Physical Chemistry 3: — Chemical Kinetics — - Christian-Albrechts ... Physical Chemistry 3: — Chemical Kinetics — - Christian-Albrechts ...
6.2 Polyatomic molecules 141 I Figure 6.4: Potential energy hypersurface of HCO. I Figure 6.5: Potential energy hypersurface of HCO.
6.2 Polyatomic molecules 142 I Models of potential energy surfaces: (1) Empirical or semiempirical models (e.g., LEPS), (2) Single points ( ) by ab initio calculations using quantum chemistry. Problem: Fitting the surface to the computed points. I Kinetics and Dynamics: (1) TST = Transition State Theory (statistical theory), (2) Classical trajectory calculations (by solving Newton’s equations), (3) Fully quantum mechanical wave packet calculations (by solving the timedependent Schrödinger equation).
- Page 105 and 106: 4.9 Femtosecond spectroscopy 90 I F
- Page 107 and 108: 4.9 Femtosecond spectroscopy 92 I F
- Page 109 and 110: 4.10 References 94 5. Collision the
- Page 111 and 112: 5.1 Hardspherecollisiontheory 96
- Page 113 and 114: 5.1 Hardspherecollisiontheory 98 I
- Page 115 and 116: 5.1 Hard sphere collision theory 10
- Page 117 and 118: 5.2 Kinetic gas theory 102 I The 1D
- Page 119 and 120: 5.2 Kinetic gas theory 104 I Figure
- Page 121 and 122: 5.2 Kinetic gas theory 106 5.2.2 Th
- Page 123 and 124: 5.2 Kinetic gas theory 108 • Resu
- Page 125 and 126: 5.3 Transport processes in gases 11
- Page 127 and 128: 5.3 Transport processes in gases 11
- Page 129 and 130: 5.3 Transport processes in gases 11
- Page 131 and 132: 5.4 Advanced collision theory 116 W
- Page 133 and 134: 5.4 Advanced collision theory 118 I
- Page 135 and 136: 5.4 Advanced collision theory 120 5
- Page 137 and 138: 5.4 Advanced collision theory 122 I
- Page 139 and 140: 5.4 Advanced collision theory 124 I
- Page 141 and 142: 5.4 Advanced collision theory 126 a
- Page 143 and 144: 5.4 Advanced collision theory 128 I
- Page 145 and 146: 5.4 Advanced collision theory 130 (
- Page 147 and 148: 5.4 Advanced collision theory 132 I
- Page 149 and 150: 5.4 Advanced collision theory 134 I
- Page 151 and 152: 5.4 Advanced collision theory 136
- Page 153 and 154: 5.4 Advanced collision theory 138 6
- Page 155: 6.2 Polyatomic molecules 140 I Figu
- Page 159 and 160: 6.3 Trajectory Calculations 144 •
- Page 161 and 162: 6.3 Trajectory Calculations 146 7.
- Page 163 and 164: 7.1 Foundations of transition state
- Page 165 and 166: 7.1 Foundations of transition state
- Page 167 and 168: 7.1 Foundations of transition state
- Page 169 and 170: 7.2 Applications of transition stat
- Page 171 and 172: 7.2 Applications of transition stat
- Page 173 and 174: 7.2 Applications of transition stat
- Page 175 and 176: 7.3 Thermodynamic interpretation of
- Page 177 and 178: 7.3 Thermodynamic interpretation of
- Page 179 and 180: 7.3 Thermodynamic interpretation of
- Page 181 and 182: 7.3 Thermodynamic interpretation of
- Page 183 and 184: 7.3 Thermodynamic interpretation of
- Page 185 and 186: 7.4 Transition state spectroscopy 1
- Page 187 and 188: 7.4 Transition state spectroscopy 1
- Page 189 and 190: 7.4 Transition state spectroscopy 1
- Page 191 and 192: 8.1 Experimental observations 176 (
- Page 193 and 194: 8.2 Lindemann mechanism 178 8.2 Lin
- Page 195 and 196: 8.2 Lindemann mechanism 180 I Half-
- Page 197 and 198: 8.3 Generalized Lindemann-Hinshelwo
- Page 199 and 200: 8.3 Generalized Lindemann-Hinshelwo
- Page 201 and 202: 8.3 Generalized Lindemann-Hinshelwo
- Page 203 and 204: 8.3 Generalized Lindemann-Hinshelwo
- Page 205 and 206: 8.3 Generalized Lindemann-Hinshelwo
6.2 Polyatomic molecules 141<br />
I<br />
Figure 6.4: Potential energy hypersurface of HCO.<br />
I<br />
Figure 6.5: Potential energy hypersurface of HCO.
Change language