Maximal probability domains in linear molecules.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 5, p. 455, doi. 10.1002/jcc.20180
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2005 AND VI 26 AND IP 5
Results: 12
1
2
Transferability of parameters of strictly local geminals' wave function and possibility of sequential derivation of molecular mechanics.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 5, p. 491, doi. 10.1002/jcc.20188
- By:
- Publication type:
- Article
3
Short-time Fourier transform analysis of ab initio molecular dynamics simulation: Collision reaction between CN and C<sub>4</sub>H<sub>6</sub>.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 5, p. 436, doi. 10.1002/jcc.20183
- By:
- Publication type:
- Article
4
XMVB.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 5, p. 514, doi. 10.1002/jcc.20187
- By:
- Publication type:
- Article
5
Structures and electron affinities of the di-arsenic fluorides As<sub>2</sub>F<sub>n</sub>/As<sub>2</sub>F.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 5, p. 411, doi. 10.1002/jcc.20171
- By:
- Publication type:
- Article
6
Chemical structures from the analysis of domain-averaged fermi holes. Nature of the MnMn bond in bis(pentacarbonylmanganese).
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 5, p. 447, doi. 10.1002/jcc.20182
- By:
- Publication type:
- Article
7
SARS-CoV protease inhibitors design using virtual screening method from natural products libraries.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 5, p. 484, doi. 10.1002/jcc.20186
- By:
- Publication type:
- Article
8
A comparative study of various computational approaches in calculating the structure of pyridoxal 5′-phosphate (PLP)-dependent β-lyase protein. The importance of protein environment.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 5, p. 443, doi. 10.1002/jcc.20179
- By:
- Publication type:
- Article
9
Improved greedy algorithm for protein structure reconstruction.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 5, p. 506, doi. 10.1002/jcc.20181
- By:
- Publication type:
- Article
10
Heuristic molecular lipophilicity potential (HMLP): A 2D-QSAR study to LADH of molecular family pyrazole and derivatives.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 5, p. 461, doi. 10.1002/jcc.20174
- By:
- Publication type:
- Article
11
Comparative performance of MM3(92) and two TINKER™ MM3 versions for the modeling of carbohydrates.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 5, p. 471, doi. 10.1002/jcc.20185
- By:
- Publication type:
- Article
12
Announcements.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 5, p. v, doi. 10.1002/jcc.20203
- Publication type:
- Article