Extracting hydration sites around proteins from explicit water simulations.
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 9, p. 861, doi. 10.1002/jcc.10074
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2002 AND VI 23 AND IP 9
Results: 9
1
2
Isomers of C<sub>20</sub>: An energy profile.
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 9, p. 938, doi. 10.1002/jcc.10096
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- Publication type:
- Article
3
Quantum chemical calculation of vibrational spectra of large molecules-Raman and IR spectra for Buckminsterfullerene.
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 9, p. 895, doi. 10.1002/jcc.10089
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- Publication type:
- Article
4
Pure component spectral reconstruction from mixture data using SVD, global entropy minimization, and simulated annealing. Numerical investigations of admissible objective functions using a synthetic 7-species data set.
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 9, p. 911, doi. 10.1002/jcc.10080
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- Publication type:
- Article
5
Quantum bits with polyacetylene.
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 9, p. 870, doi. 10.1002/jcc.10073
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- Publication type:
- Article
6
Ab initio study on the electronic structures of styrene in the Franck-Condon region.
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 9, p. 928, doi. 10.1002/jcc.10077
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- Publication type:
- Article
7
Improved RGF method to find saddle points.
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 9, p. 887, doi. 10.1002/jcc.10088
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- Publication type:
- Article
8
Analytical energy gradient evaluation in relativistic and nonrelativistic density functional calculations.
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 9, p. 920, doi. 10.1002/jcc.10082
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- Publication type:
- Article
9
Theoretical investigation of electron transfer transition in tetracyanoethylene-contained organic complexes.
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 9, p. 874, doi. 10.1002/jcc.10079
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- Publication type:
- Article