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The Molecular Modeling Workbook for Organic Chemistry - Hehre J.W.

Hehre J.W., Shusterman J.A. The Molecular Modeling Workbook for Organic Chemistry - Wavefunction, 1998. - 307 p.
Download (direct link): molecularmodelingworkbook1998.djvu
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1 -propanol.......................8.4, 8.8
2-propanol 8.3
propene......5.2, 7.3, 7.7, 7.15, 7.11, 12.1
.................. 17.2, 17.11, 18.2,21.8
propen-2-ol............................11.1
propionate anion........................2.8
n-propylbenzene........................20.2
"-propyl benzene radical cation........20.2
1-propyl bromide.......................17.6
2-propyl bromide..................6.5, 17.6
1-propyl cation.........................7.7
2-propyl cation..........6.8, 6.10, 7.3, 7.7
2-propylcyclohexane 5.6
propylene oxide........................8.11
propylene oxide, protonated............8.11
1-propyldimethylboran e.............7.11
2-propyldimethylboran e.............7.11
1-propyl iodide.........................8.8
1-propyl radical..................3.5, 3.6
2-propyl radical..................3.5, 3.6
2-propyl tosylate......................6.10
propyne................................7.15
pyrazole...............................15.1
pyrazole, protonated...................15.1
pyridazine..............................1.6
pyridine...............................15.3
2-pyridone 15.6
4-pyridone 15.6
2-pyrimidone 15.6
4-pyrimidone 15.6
pyrrole................................15.2
pyrrole, protonated....................15.2
302 Index of Molecules
pyrrolidine..............................15.2
R____________________________________________
reserpine................................15.7
retinal...................................7.1
rubber...................................18.3
rubber, vulcanized.......................18.3
S_______________________
saccharin...............
sodium borohydride ...
sodium cation...........
sodium cyclamate........
sodium hydride..........
sodium hydride dimer
stearate................
styrene.................
sucrose ................
T
Teflon.................................18.2
tetracyanoethylene.....................21.3
tetrafluoroethylene....................18.2
tetrahedrane...........................19.5
tetrahydrothiophene....................15.4
2.2.4.4-tetramethyl-3-pentyl cation.... 6.10
2.2.4.4-tetramethyl-3-pentyl tosylate .6.10
thiamine...............................16.3
thiamine, deprotonated.................16.3
thiomethanol............................9.3
thionyl chloride........................8.6
thiophene..............................15.4
thymine..............................16.11
thymine-cytosine base pair...........16.11
oc-tocopherol..........................16.2
toluene ...5.2,13.5,13.6,14.4,17.2,19.12
tolyl radical..........................17.4
tosylate anion..........................8.7
trichloroacetate anion..................2.7
trichloromethyl radical................17.1
tricyanomethyl radical.................17.1
4.4.4-trifluoro-2-butanon e..........11.3
4.4.4-trifluoro-2-butanone, enolate... 11.3
trifluoroethanol........................8.3
para-tri I uoromcthy ] ani line........14.4
trifluoromethyl radical................17.1
trifluorotoluene...............14.4, 19.12
trimethylamine........1.10, 6.2, 14.1, 14.5
trimethylammonium ion............6.2, 14.3
trimethylammonium ion water complex................................14.3
trimethyloxonium ion....................6.4
2.2.4-trimethylpentan e...........5.3
trimethylhydroquinone...............16.14
trimethylquinone....................16.14
trimethylquinone radical anion......16.14
trimethylsulfonium cation..............9.12
trimethylsulfoxonium cation............9.12
trimethylsilyl chloride................11.9
trimethylsilylcyclohexyl ether......11.10
2-trimethylsilylcyclohexyl ether....11.10
2.4.6-trimethyl-1,3,5-trioxan e........9.1
2.4.6-trinitrofluorobenzen e....13.10
triolein............................10.10
1.3.5-trioxan e.................9.1
triphenylmethyl lithium................11.5
tripheny lphosphinemethy lidene........9.11
tristearin..........................10.10
tropylium cation.......................12.9
tryptophan.............................16.6
.....16.10
.........9.7
.......8.12
.....16.10
.........8.4
.........8.4
.....10.10
7.14, 18.2 .....16.10
Index of Molecules 303
urea.................................... ................10.6
urea, protonated................. ................10.6
V
valine.................................
vinyl chloride..................... ................18.2
vitamin E radical................ ...............17.7
W
water...........1,1, 2.4, 2.8, 8.7, 10.3, 19.1
water dimer....................................2.2
water, liquid..................................2.1
304 Index of Molecules
Index of Transition States
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