Correlation corrected band structures of homopolypeptides v. B3LYP band structures of 19 homopolypeptides.
- Published in:
- International Journal of Quantum Chemistry, 2004, v. 99, n. 1, p. 47, doi. 10.1002/qua.20107
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- Publication type:
- Article
Works matching IS 00207608 AND DT 2004 AND VI 99 AND IP 1
Results: 7
1
2
Trends in the bonding of the first-row transition metal compounds: V(001) surface, TM-oxide and nitride molecules, and Au<sub>n</sub>Ti (2≤n≤7) clusters.
- Published in:
- International Journal of Quantum Chemistry, 2004, v. 99, n. 1, p. 39, doi. 10.1002/qua.20115
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- Article
3
Functional assessment of in vivo and in silico mutations in the guanine binding site of RNase T<sub>1</sub>: A DFT study.
- Published in:
- International Journal of Quantum Chemistry, 2004, v. 99, n. 1, p. 53, doi. 10.1002/qua.20114
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- Publication type:
- Article
4
Studies on structure and conformational stability of free canonical 2'-deoxyribonucleosides: Approximate SCC-DFTB and LMP2 methods.
- Published in:
- International Journal of Quantum Chemistry, 2004, v. 99, n. 1, p. 28, doi. 10.1002/qua.20101
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- Publication type:
- Article
5
Density functional theory study of formamideformamidic acid tautomerization.
- Published in:
- International Journal of Quantum Chemistry, 2004, v. 99, n. 1, p. 1, doi. 10.1002/qua.20085
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- Publication type:
- Article
6
Book Review.
- Published in:
- International Journal of Quantum Chemistry, 2004, v. 99, n. 1, p. 59, doi. 10.1002/qua.20104
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- Publication type:
- Article
7
Prediction of reactive sites for the electropolymerization of p-benzenesulfonic acid derivatives: Ab initio and experimental study.
- Published in:
- International Journal of Quantum Chemistry, 2004, v. 99, n. 1, p. 11, doi. 10.1002/qua.20099
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- Publication type:
- Article