THE URACIL-FLUORIDE INTERACTION - ABINITIO CALCULATIONS INCLUDING SOLVATION

被引：21

作者：

EMSLEY, J ^{[1
]}

JONES, DJ ^{[1
]}

OVERILL, RE ^{[1
]}

机构：

[1] UNIV LONDON KINGS COLL,CTR COMP,LONDON WC2R 2LS,ENGLAND

来源：

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS | 1982年 / 09期

关键词：

D O I：

10.1039/c39820000476

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：476 / 478

页数：3

共 22 条

[1] ADLER P, 1970, FLUORIDES HUMAN HLTH, P179
[2] EFFECTS OF HALIDES ON REDUCED NICOTINAMIDE ADENINE-DINUCLEOTIDE BINDING-PROPERTIES AND CATALYTIC ACTIVITY OF BEEF-HEART LACTATE-DEHYDROGENASE
ANDERSON, SR
[J]. BIOCHEMISTRY, 1981, 20 (03) : 464 - 467
[3] BINKLEY JS, 1978, QCPE, V11, P368
[4] IS THE CARBOXYLIC ACID FLUORIDE BOND REALLY THE STRONGEST TYPE OF HYDROGEN-BOND
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RADOM, L
[J]. CHEMICAL PHYSICS LETTERS, 1979, 64 (02) : 216 - 218
[5] STRONG HYDROGEN-BONDING IN THE POLYFLUORIDES - ABINITIO CALCULATIONS AND A NEW METHOD OF PREPARING POTASSIUM HYDROGENDIFLUORIDE
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EMSLEY, J
OVERILL, RE
[J]. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1981, (05): : 1219 - 1222
[6] IR EVIDENCE FOR A STRONG HYDROGEN-BOND IN THE FLUORIDE-URACIL SYSTEM
CLARK, JH
TAYLOR, JS
[J]. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1981, (10) : 466 - 468
[7] MOLECULAR-ORBITAL THEORY OF THE HYDROGEN-BOND .24. GROUND-STATE WATER-URACIL COMPLEXES
DELBENE, JE
[J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1981, 2 (02) : 188 - 199
[8] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
DITCHFIELD, R
HEHRE, WJ
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) : 724 - +
[9] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +
[10] DEUTERIATION OF AN ASYMMETRIC SHORT HYDROGEN-BOND - X-RAY CRYSTAL-STRUCTURE OF KF.(CH2CO2D)2
EMSLEY, J
JONES, DJ
KURODA, R
[J]. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1981, (10): : 2141 - 2143

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