Computational Chemistry
991 – 1000 of 1095
- show: 10
- |
- sort: year (new to old)
Close
Embed this list
<iframe src=" "
width=" "
height=" "
allowtransparency="true"
frameborder="0">
</iframe>
- 2003
-
Mark
Theoretical prediction of the co-c bond strength in cobalamins.
2003) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 107(38). p.7539-7545(
- Contribution to journal › Article
-
Mark
Bjorn's top ten
(
- Contribution to journal › Letter
-
Mark
Inter- and intramolecular potential for the N-formylglycinamide-water system. A comparison between theoretical modeling and empirical force fields
(
- Contribution to journal › Article
-
Mark
On the influence of the basis set superposition error on calculated vibrational frequencies
(
- Contribution to journal › Article
-
Mark
On the effective interaction between an ion and a hydrophobic particle in polar solvents. A step towards an understanding of the hofmeister effect?
(
- Contribution to journal › Article
-
Mark
The electronic spectrum of VCr
(
- Contribution to journal › Article
-
Mark
Free Energy and Surface Forces in polymer systems: Monte Carlo Simulation Studies
2003)(
- Thesis › Doctoral thesis (compilation)
-
Mark
Molecular orbital theory.
2003) In Comprehensive Coordination Chemistry 2 (Vol. 1)(
- Chapter in Book/Report/Conference proceeding › Book chapter
-
Mark
Molcas: a program package for computational chemistry.
2003) Symposium on Software Development for Process and Materials Disign In Computational Materials Science 28(2). p.222-239(
- Contribution to journal › Article
- 2002
-
Mark
Simple approach to polyampholytes based on chain polarizabilities
(
- Contribution to journal › Article