Comment on “numerical treatment of two-center overlap integrals”.
- Published in:
- Journal of Molecular Modeling, 2007, v. 13, n. 9, p. 949, doi. 10.1007/s00894-007-0224-5
- By:
- Publication type:
- Article
Works matching IS 16102940 AND DT 2007 AND VI 13 AND IP 9
Results: 10
1
2
Aromaticity and electronic properties of Heterosuperbenzene (Heterohexabenzocoronene).
- Published in:
- Journal of Molecular Modeling, 2007, v. 13, n. 9, p. 1027, doi. 10.1007/s00894-007-0223-6
- By:
- Publication type:
- Article
3
The platinum-olefin binding energy in series of (PH<sub>3</sub>)<sub>2</sub>Pt(olefin) complexes - a theoretical study.
- Published in:
- Journal of Molecular Modeling, 2007, v. 13, n. 9, p. 1009
- By:
- Publication type:
- Article
4
On the relative stabilities of the alkali cations 222 cryptates in the gas phase and in water-methanol solution.
- Published in:
- Journal of Molecular Modeling, 2007, v. 13, n. 9, p. 1017
- By:
- Publication type:
- Article
5
Investigation of the intermolecular proton transfer in the supersystems adenine-methanol/ethanol/i-propanol: MP2 and DFT levels study.
- Published in:
- Journal of Molecular Modeling, 2007, v. 13, n. 9, p. 1001, doi. 10.1007/s00894-007-0226-3
- By:
- Publication type:
- Article
6
3D-QSAR studies on fluoropyrrolidine amides as dipeptidyl peptidase IV inhibitors by CoMFA and CoMSIA.
- Published in:
- Journal of Molecular Modeling, 2007, v. 13, n. 9, p. 993, doi. 10.1007/s00894-007-0221-8
- By:
- Publication type:
- Article
7
Calculations of the C<sub>2</sub> fragmentation energies of higher fullerenes C<sub>80</sub> and C<sub>82</sub>.
- Published in:
- Journal of Molecular Modeling, 2007, v. 13, n. 9, p. 981
- By:
- Publication type:
- Article
8
Docking studies on kinesin spindle protein inhibitors: an important cooperative ‘minor binding pocket’ which increases the binding affinity significantly.
- Published in:
- Journal of Molecular Modeling, 2007, v. 13, n. 9, p. 987, doi. 10.1007/s00894-007-0219-2
- By:
- Publication type:
- Article
9
AM1* parameters for copper and zinc.
- Published in:
- Journal of Molecular Modeling, 2007, v. 13, n. 9, p. 965, doi. 10.1007/s00894-007-0214-7
- By:
- Publication type:
- Article
10
QSPR modeling of hyperpolarizabilities.
- Published in:
- Journal of Molecular Modeling, 2007, v. 13, n. 9, p. 951, doi. 10.1007/s00894-007-0209-4
- By:
- Publication type:
- Article