Works matching IS 01928651 AND DT 2014 AND VI 35 AND IP 25
Results: 9
CCSD-CTOCD static dipole shielding polarizability for quantification of the chiral NMR effects in oxaziridine derivatives.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 25, p. 1815, doi. 10.1002/jcc.23689
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- Publication type:
- Article
Basis set error estimation for DFT calculations of electronic g-tensors for transition metal complexes.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 25, p. 1809, doi. 10.1002/jcc.23688
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- Publication type:
- Article
Shape-based virtual screening with volumetric aligned molecular shapes.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 25, p. 1824, doi. 10.1002/jcc.23690
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- Publication type:
- Article
To be or not to be butterfly: New mechanistic insights in the Aza-Michael asymmetric addition of lithium ( R)- N-benzyl- N-(α-methylbenzyl)amide.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 25, p. 1846, doi. 10.1002/jcc.23694
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- Publication type:
- Article
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- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 25, p. 1865, doi. 10.1002/jcc.23701
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- Publication type:
- Article
Cover Image, Volume 35, Issue 25.
- Published in:
- 2014
- Publication type:
- Other
Coarse-grained molecular dynamics simulations of protein-ligand binding.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 25, p. 1835, doi. 10.1002/jcc.23693
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- Publication type:
- Article
Factors affecting the computation of the <sup>13</sup>C shielding in disaccharides.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 25, p. 1854, doi. 10.1002/jcc.23697
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- Publication type:
- Article
Cover Image, Volume 35, Issue 25.
- Published in:
- 2014
- Publication type:
- Other