Computational Chemistry
761 – 770 of 1103
- show: 10
- |
- sort: year (new to old)
Close
Embed this list
<iframe src=" "
width=" "
height=" "
allowtransparency="true"
frameborder="0">
</iframe>
- 2008
-
Mark
Specific ion binding to nonpolar surface patches of proteins
(
- Contribution to specialist publication or newspaper › Specialist publication article
-
Mark
Variation of polarizability in the [4n+2] annulene series: from [22]- to [66]-annulene
(
- Contribution to journal › Article
-
Mark
A Synthetic Analogue of Rieske-Type [2Fe-2S] Clusters
(
- Contribution to journal › Article
-
Mark
Solvent effects on the nitrogen NMR shielding and nuclear quadrupole coupling constants in 1-methyltriazoles
(
- Contribution to journal › Article
-
Mark
Proceedings of the 7th Liquid Matter Conference (Lund, Sweden, 27 June-1 July 2008) PREFACE
(
- Contribution to journal › Debate/Note/Editorial
-
Mark
Prediction of Activation Energies for Aromatic Oxidation by Cytochrome P450
2008) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 112(50). p.13058-13065(
- Contribution to journal › Article
-
Mark
Induction correction model for rotation of two or three dihedral angles.
(
- Contribution to journal › Article
-
Mark
Not Innocent: Verdict from Ab Initio Multiconfigurational Second-Order Perturbation Theory on the Electronic Structure of Chloroiron Corrole
(
- Contribution to journal › Article
-
Mark
New Relativistic Atomic Natural Orbital Basis Sets for Lanthanide Atoms with Applications to the Ce Diatom and LuF3
2008) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 112(45). p.11431-11435(
- Contribution to journal › Article
-
Mark
Simulating equilibrium surface forces in polymer solutions using a canonical grid method
(
- Contribution to journal › Article