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0 Normal form

Date post:	09-Jan-2016
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N-OH2. 21 TS 2. 20 TS 1. 10 Tautomer 1. 3 Tautomer 2. 0 Normal form. S 1. PPOH2. 0 Normal form*. - 6 TS*. - 10 Tautomer*. 86. 66. 11 TS. 10 Tautomer. S 0. 0 Normal form. 6 TS1*. 5 TS2*. 3 Tautomer*. 0 Normal form*. - 5 Tautomer1*. CIS (OPT). 0 Normal form*. - PowerPoint PPT Presentation

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86s0s166ppoh20normal

normal form20ts

b3lyp optcis opttd

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0 Normal form 20 TS 1 10 Tautomer 1 21 TS 2 3 Tautomer 2 N-OH2

Transcript

Page 1: 0 Normal form

0Normal form

20TS 1

10Tautomer 1

21TS 2

3Tautomer 2

N-OH2

Page 2: 0 Normal form

0Normal form

11TS 10

Tautomer

0Normal form* 6

TS* 10Tautomer*86

S0

S1

66

PPOH2

Page 3: 0 Normal form

0Normal form*

16TS*

12Tautomer*

0Normal form*

6TS1*

5Tautomer1*

5TS2* 3

Tautomer*

0Normal form* 1

TS1*

Tautomer1*

6TS2*

10Tautomer*

TD-B3LYP (OPT)

CIS (OPT)

TD-B3LYP//CIS

Calculated by Chen Jien-Lian

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