The hydrogen perturbation in molecular connectivity computations.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 7, p. 868, doi. 10.1002/jcc.20375
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2006 AND VI 27 AND IP 7
Results: 8
1
2
Computational study of ground-state chiral induction in small peptides: Comparison of the relative stability of selected amino acid dimers and oligomers in homochiral and heterochiral combinations.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 7, p. 857, doi. 10.1002/jcc.20378
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- Publication type:
- Article
3
A comparison of quantum chemical models for calculating NMR shielding parameters in peptides: Mixed basis set and ONIOM methods combined with a complete basis set extrapolation.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 7, p. 825, doi. 10.1002/jcc.20388
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- Publication type:
- Article
4
Theoretical studies on the role of π-electron delocalization in determining the conformation of N-benzylideneaniline with three types of LMO basis sets.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 7, p. 809, doi. 10.1002/jcc.20390
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- Publication type:
- Article
5
New model potentials for sulfur–copper(I) and sulfur–mercury(II) interactions in proteins: From ab initio to molecular dynamics.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 7, p. 837, doi. 10.1002/jcc.20392
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- Publication type:
- Article
6
Reaction mechanism of the CCN radical with nitric oxide.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 7, p. 883, doi. 10.1002/jcc.20396
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- Publication type:
- Article
7
Linear-scaling molecular orbital calculations for the pKa values of ionizable residues in proteins.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 7, p. 906, doi. 10.1002/jcc.20372
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- Publication type:
- Article
8
Theoretical study on the mechanism of the CH<sub>2</sub>F + NO<sub>2</sub> reaction.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 7, p. 894, doi. 10.1002/jcc.20397
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- Publication type:
- Article