Concise Physical Chemistry

c20 JWBS043-Rogers September 13, 2010 11:29 Printer Name: Yet to Come 334 QUANTUM MOLECULAR MODELING Z-MATRIX (ANGSTROMS AND DEG ...

c20 JWBS043-Rogers September 13, 2010 11:29 Printer Name: Yet to Come FINDING (^) fH^298 OF METHANOL 335 If we knew the energy r ...

c20 JWBS043-Rogers September 13, 2010 11:29 Printer Name: Yet to Come 336 QUANTUM MOLECULAR MODELING the difference in calculate ...

c20 JWBS043-Rogers September 13, 2010 11:29 Printer Name: Yet to Come PERTURBATION 337 SCF averaging procedure. The difference b ...

c20 JWBS043-Rogers September 13, 2010 11:29 Printer Name: Yet to Come 338 QUANTUM MOLECULAR MODELING HF/6-31G(d) FOpt HF geometr ...

c20 JWBS043-Rogers September 13, 2010 11:29 Printer Name: Yet to Come DENSITY FUNCTIONAL THEORY (DFT) 339 E[MP2/6-31G(d) E[MP2/G ...

c20 JWBS043-Rogers September 13, 2010 11:29 Printer Name: Yet to Come 340 QUANTUM MOLECULAR MODELING using three parameters is d ...

c20 JWBS043-Rogers September 13, 2010 11:29 Printer Name: Yet to Come PROBLEMS AND EXAMPLES 341 $CONTRL SCFTYP=RHF MULT=1 RUNTYP ...

c20 JWBS043-Rogers September 13, 2010 11:29 Printer Name: Yet to Come 342 QUANTUM MOLECULAR MODELING The energy output of this s ...

c20 JWBS043-Rogers September 13, 2010 11:29 Printer Name: Yet to Come PROBLEMS AND EXAMPLES 343 (b) What is the energy of the hy ...

c21 JWBS043-Rogers September 13, 2010 11:30 Printer Name: Yet to Come 21 PHOTOCHEMISTRY AND THE THEORY OF CHEMICAL REACTIONS So ...

c21 JWBS043-Rogers September 13, 2010 11:30 Printer Name: Yet to Come QUANTUM YIELDS 345 Many systems follow Einstein’s law, whi ...

c21 JWBS043-Rogers September 13, 2010 11:30 Printer Name: Yet to Come 346 PHOTOCHEMISTRY AND THE THEORY OF CHEMICAL REACTIONS gr ...

c21 JWBS043-Rogers September 13, 2010 11:30 Printer Name: Yet to Come QUANTUM YIELDS 347 This chain reaction is damaging to biol ...

c21 JWBS043-Rogers September 13, 2010 11:30 Printer Name: Yet to Come 348 PHOTOCHEMISTRY AND THE THEORY OF CHEMICAL REACTIONS 21 ...

c21 JWBS043-Rogers September 13, 2010 11:30 Printer Name: Yet to Come THE EYRING THEORY OF REACTION RATES 349 21.5 ISODESMIC REA ...

c21 JWBS043-Rogers September 13, 2010 11:30 Printer Name: Yet to Come 350 PHOTOCHEMISTRY AND THE THEORY OF CHEMICAL REACTIONS rH ...

c21 JWBS043-Rogers September 13, 2010 11:30 Printer Name: Yet to Come THE POTENTIAL ENERGY SURFACE 351 H + H-H H-H + H Activated ...

c21 JWBS043-Rogers September 13, 2010 11:30 Printer Name: Yet to Come 352 PHOTOCHEMISTRY AND THE THEORY OF CHEMICAL REACTIONS st ...

c21 JWBS043-Rogers September 13, 2010 11:30 Printer Name: Yet to Come THE STEADY-STATE PSEUDO-EQUILIBRIUM 353 21.8 THE STEADY-ST ...