Erratum.
- Published in:
- 2004
- Publication type:
- Correction Notice
Works matching IS 01928651 AND DT 2004 AND VI 25 AND IP 1
Results: 14
1
2
Extension of the PDDG/PM3 and PDDG/MNDO Semiempirical Molecular Orbital Methods to the Halogens.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 1, p. 138, doi. 10.1002/jcc.10356
- By:
- Publication type:
- Article
3
Semiempirical PM5 Molecular Orbital Study on Chlorophylls and Bacteriochlorophylls: Comparison of Semiempirical, Ab Initio, and Density Functional Results.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 1, p. 123, doi. 10.1002/jcc.10344
- By:
- Publication type:
- Article
4
Ground- and Excited-State Properties of DNA Base Molecules from Plane-Wave Calculations Using Ultrasoft Pseudopotentials.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 1, p. 112, doi. 10.1002/jcc.10372
- By:
- Publication type:
- Article
5
New Reaction Simulator "LUMMOX" and Its Application for Prediction of Catalytic Activities.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 1, p. 106, doi. 10.1002/jcc.10359
- By:
- Publication type:
- Article
6
Testing Electronic Structure Methods for Describing Intermolecular H · · · H Interactions in Supramolecular Chemistry.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 1, p. 99, doi. 10.1002/jcc.10371
- By:
- Publication type:
- Article
7
Systematic Quantum Chemical Study of DNA-Base Tautomers.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 1, p. 83, doi. 10.1002/jcc.10365
- By:
- Publication type:
- Article
8
Ab Initio Direct Dynamics Studies on the Reaction of H Atom with CH<sub>3</sub>CH<sub>2</sub>CI.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 1, p. 71, doi. 10.1002/jcc.10305
- By:
- Publication type:
- Article
9
Development and Validation of COMPASS Force Field Parameters for Molecules with Aliphatic Azide Chains.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 1, p. 61, doi. 10.1002/jcc.10316
- By:
- Publication type:
- Article
10
DFT-GIAO Calculations of <sup>19</sup>F NMR Chemical Shifts for Perfluoro Compounds.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 1, p. 51, doi. 10.1002/jcc.10339
- By:
- Publication type:
- Article
11
Theoretical Study of the Internal Conversion of Sulfoxide Precursors of Poly-isothianaphthene and Related Polymers.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 1, p. 40, doi. 10.1002/jcc.10366
- By:
- Publication type:
- Article
12
Improving the Efficiency and Reliability of Free Energy Perturbation Calculations Using Overlap Sampling Methods.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 1, p. 28, doi. 10.1002/jcc.10369
- By:
- Publication type:
- Article
13
Peptide Backbone Reconstruction Using Dead-End Elimination and a Knowledge-Based Forcefield.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 1, p. 16, doi. 10.1002/jcc.10314
- By:
- Publication type:
- Article
14
CHARMM Fluctuating Charge Force Field for Proteins: I Parameterization and Application to Bulk Organic Liquid Simulations.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 1, p. 1, doi. 10.1002/jcc.10355
- By:
- Publication type:
- Article