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NLM101611889 |
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DE-627 |
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20250201071740.0 |
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tu |
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231222s1999 xx ||||| 00| ||eng c |
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|a pubmed25n0339.xml
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|a (DE-627)NLM101611889
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|a (NLM)10228572
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|a DE-627
|b ger
|c DE-627
|e rakwb
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| 041 |
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|a eng
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| 100 |
1 |
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|a Chen, E S
|e verfasserin
|4 aut
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| 245 |
1 |
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|a Classification of organic molecules to obtain electron affinities from half-wave reduction potentials
|b cytosine, uracil, thymine, guanine and adenine
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|c 1999
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|a Text
|b txt
|2 rdacontent
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|a ohne Hilfsmittel zu benutzen
|b n
|2 rdamedia
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| 338 |
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|a Band
|b nc
|2 rdacarrier
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| 500 |
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|a Date Completed 14.06.1999
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|a Date Revised 03.11.2019
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|a published: Print
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|a Citation Status MEDLINE
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|a A procedure for obtaining the adiabatic electron affinities (AEA) of organic molecules from half-wave reduction potentials in aprotic solvents is presented. Molecules are placed into groups according to their structure. Each group has a different solution energy difference. Calculations of AEA and charge distributions with AM1-multiconfiguration configuration interaction are used to support the intuitive classification of the molecules. The procedure is illustrated for Vitamins A and E, riboflavin, the azines, polyenes, hydroxy-pyrimidine, oxo-guanine, the hydrogen bonded cytosine-oxo-guanine as well as the AEA, and vertical EA (VEA) of Cytosine (C), Uracil (U), Thymine (T), Guanine (G) and Adenine (A). The latter values are: (VEA) G, 0.10; A, -0.49; U, 0.33; T, 0.31; C, -1.48 and (AEA) G, 1.51 +/- 0.05; A, 0.95 +/- 0.05; U, 0.80 +/- 0.05; T, 0.79 +/- 0.05; C, 0.56 +/- 0.05 in eV
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|a Journal Article
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| 650 |
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|a Research Support, Non-U.S. Gov't
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| 650 |
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|a Organic Chemicals
|2 NLM
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|a Solvents
|2 NLM
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|a Vitamin A
|2 NLM
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| 650 |
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|a 11103-57-4
|2 NLM
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| 650 |
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|a Vitamin E
|2 NLM
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| 650 |
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7 |
|a 1406-18-4
|2 NLM
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| 650 |
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7 |
|a Uracil
|2 NLM
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| 650 |
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7 |
|a 56HH86ZVCT
|2 NLM
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| 650 |
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7 |
|a Guanine
|2 NLM
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| 650 |
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7 |
|a 5Z93L87A1R
|2 NLM
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| 650 |
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7 |
|a Cytosine
|2 NLM
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| 650 |
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7 |
|a 8J337D1HZY
|2 NLM
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| 650 |
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7 |
|a Adenine
|2 NLM
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| 650 |
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7 |
|a JAC85A2161
|2 NLM
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| 650 |
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7 |
|a Thymine
|2 NLM
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| 650 |
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7 |
|a QR26YLT7LT
|2 NLM
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| 650 |
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7 |
|a Riboflavin
|2 NLM
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| 650 |
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7 |
|a TLM2976OFR
|2 NLM
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| 700 |
1 |
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|a Chen, E C
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Sane, N
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Shulze, S
|e verfasserin
|4 aut
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| 773 |
0 |
8 |
|i Enthalten in
|t Bioelectrochemistry and bioenergetics (Lausanne, Switzerland)
|d 1999
|g 48(1999), 1 vom: 03. Feb., Seite 69-78
|w (DE-627)NLM098241303
|x 0302-4598
|7 nnns
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| 773 |
1 |
8 |
|g volume:48
|g year:1999
|g number:1
|g day:03
|g month:02
|g pages:69-78
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| 912 |
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|a GBV_USEFLAG_A
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|a SYSFLAG_A
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|a GBV_NLM
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|a GBV_ILN_350
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| 951 |
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|a AR
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| 952 |
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|d 48
|j 1999
|e 1
|b 03
|c 02
|h 69-78
|