Works matching IS 01928651 AND DT 1996 AND VI 17 AND IP 10
Results: 9
Calculation of amino acid pK<sub>a</sub>S in a protein from a continuum electrostatic model: Method and sensitivity analysis.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 10, p. 1229, doi. 10.1002/(SICI)1096-987X(19960730)17:10<1229::AID-JCC4>3.0.CO;2-Q
- By:
- Publication type:
- Article
Quality of correlating functions generated from commonly used basis sets.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 10, p. 1276, doi. 10.1002/(SICI)1096-987X(19960730)17:10<1276::AID-JCC8>3.0.CO;2-L
- By:
- Publication type:
- Article
Parallel implementation of a protein structure refinement algorithm.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 10, p. 1217, doi. 10.1002/(SICI)1096-987X(19960730)17:10<1217::AID-JCC3>3.0.CO;2-R
- By:
- Publication type:
- Article
Method for free-energy calculations using iterative techniques.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 10, p. 1269, doi. 10.1002/(SICI)1096-987X(19960730)17:10<1269::AID-JCC7>3.0.CO;2-M
- By:
- Publication type:
- Article
Masthead.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 10, p. fmi, doi. 10.1002/jcc.540171001
- Publication type:
- Article
Use of multivariate methods in the analysis of calculated reaction pathways.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 10, p. 1197, doi. 10.1002/(SICI)1096-987X(19960730)17:10<1197::AID-JCC2>3.0.CO;2-J
- By:
- Publication type:
- Article
Derivation of fused-sphere molecular surfaces from properties of the electrostatic potential distribution.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 10, p. 1258, doi. 10.1002/(SICI)1096-987X(19960730)17:10<1258::AID-JCC6>3.0.CO;2-N
- By:
- Publication type:
- Article
Structures and vibrational frequencies of vanadium (V) oligomers: An ab initio study using effective core potentials.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 10, p. 1183, doi. 10.1002/(SICI)1096-987X(19960730)17:10<1183::AID-JCC1>3.0.CO;2-K
- By:
- Publication type:
- Article
Phenylene vinylene oligomers studied by theoretical methods: Joint analysis of computational and x-ray results of the configurational isomers of 1,4-bis[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 10, p. 1245, doi. 10.1002/(SICI)1096-987X(199608)17:10<1245::AID-JCC5>3.0.CO;2-N
- By:
- Publication type:
- Article