Computational Chemistry
881 – 890 of 1089
- show: 10
- |
- sort: year (new to old)
Close
Embed this list
<iframe src=" "
width=" "
height=" "
allowtransparency="true"
frameborder="0">
</iframe>
- 2005
-
Mark
Controlling the cohesion of cement paste
(
- Contribution to journal › Article
-
Mark
Accurate QM/MM free energy calculations of enzyme reactions: Methylation by catechol O-methyltransferase
(
- Contribution to journal › Article
-
Mark
Theoretical study of structure of catalytic copper site in nitrite reductase
(
- Contribution to journal › Article
-
Mark
Enhanced protein adsorption due to charge regulation
(
- Contribution to journal › Article
-
Mark
New general tools for constrained geometry optimizations
(
- Contribution to journal › Article
-
Mark
A combined quantum and molecular mechanical study of the O-2 reductive cleavage in the catalytic cycle of multicopper oxidases
(
- Contribution to journal › Article
-
Mark
Quantum mechanical free energy barrier for an enzymatic reaction
(
- Contribution to journal › Article
-
Mark
Ground state and electronic spectrum of Cu(II) and Cu(III) complexes of N,N '-1,2-phenylenebis-2-mercaptoacetamide
(
- Contribution to journal › Article
-
Mark
On the solvation of ions in small water droplets
(
- Contribution to journal › Article
-
Mark
A very short uranium-uranium bond: The predicted metastable U-2(2+)
(
- Contribution to journal › Article