Preface.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 1, p. 1, doi. 10.1002/qua.1300
- Publication type:
- Article
Works matching IS 00207608 AND DT 2001 AND VI 84 AND IP 1
Results: 17
1
2
Effective Hamiltonian approach to catalytic activity of transition metal complexes.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 1, p. 99, doi. 10.1002/qua.1311
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- Publication type:
- Article
3
A novel approach for calculating correlation energy based on the two-electron density matrix formalism.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 1, p. 32, doi. 10.1002/qua.1304
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- Publication type:
- Article
4
Toroidal and spherical fullerene-like molecules with only pentagonal and heptagonal faces.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 1, p. 136, doi. 10.1002/qua.1315
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- Publication type:
- Article
5
Rydberg electron transitions of the atmospherically important molecule N.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 1, p. 70, doi. 10.1002/qua.1308
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- Publication type:
- Article
6
Model systems for rod-like polyheteroarylethynylenes.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 1, p. 86, doi. 10.1002/qua.1310
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- Publication type:
- Article
7
Implementation and evaluation of MPI-based parallel MD program.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 1, p. 23, doi. 10.1002/qua.1303
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- Publication type:
- Article
8
Theoretical study of C.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 1, p. 127, doi. 10.1002/qua.1314
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- Publication type:
- Article
9
Henry constants predicted using multipole expansion for the interaction energies.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 1, p. 58, doi. 10.1002/qua.1307
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- Publication type:
- Article
10
New computational algorithm for the prediction of protein folding types.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 1, p. 13, doi. 10.1002/qua.1302
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- Publication type:
- Article
11
Neural network modeling of physical properties of chemical compounds.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 1, p. 117, doi. 10.1002/qua.1313
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- Publication type:
- Article
12
Dynamics of the D.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 1, p. 48, doi. 10.1002/qua.1306
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- Publication type:
- Article
13
Symplectic molecular dynamics integration using normal mode analysis.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 1, p. 2, doi. 10.1002/qua.1301
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- Publication type:
- Article
14
Adsorption of water in mordenite-An ab initio study.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 1, p. 110, doi. 10.1002/qua.1312
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- Publication type:
- Article
15
Potential energy surfaces in hybrid quantum mechanical/molecular mechanical methods.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 1, p. 39, doi. 10.1002/qua.1305
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- Publication type:
- Article
16
Dicoordinate boron and phosphorus. HBCN.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 1, p. 140, doi. 10.1002/qua.1316
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- Publication type:
- Article
17
High-level ab initio predictions of CO.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 1, p. 78, doi. 10.1002/qua.1309
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- Publication type:
- Article