Computational Chemistry

1051 – 1060 of 1124

show: 10
|
sort: year (new to old)

News feed Embed this list Save this search Mark all Export

Cancel

Embed this list

copy and paste the html snippet below into your own page:

<iframe src="https://lup.lub.lu.se/search/organization/V1000659?embed=1&amp;hide_pagination=1&amp;hide_info=1&amp;hide_options=1"
  width="100%"
  height="400"
  allowtransparency="true"
  frameborder="0">
</iframe>

« previous
1
…
105
106
107
108
…
113
next »

2002
Mark Theoretical characterization of the lowest-energy absorption band of pyrrole
Roos, Björn ^LU ; Malmqvist, Per-Åke ^LU ; Molina, Vicent ^LU ; Serrano-Andres, L and Merchan, M (2002) In Journal of Chemical Physics 116(17). p.7526-7536
- Contribution to journal › Article
Mark On the influence of dielectric saturation and medium granularity on ion-ion interaction and reorganization energies associated with electron-transfer processes in condensed matter
Karlström, Gunnar ^LU (2002) In The Journal of Physical Chemistry Part B 106(20). p.5302-5311
- Contribution to journal › Article
Mark Quantum chemical geometry optimizations in proteins using crystallographic raw data.
Ryde, Ulf ^LU ; Olsen, Lars and Nilsson, Kristina ^LU (2002) In Journal of Computational Chemistry 23(11). p.1058-1070
- Contribution to journal › Article
Mark A coupled cluster response study of the electric dipole polarizability, first and second hyperpolarizabilities of HCl
Rizzo, A ; Coriani, S ; Fernandez, B and Christiansen, Ove ^LU (2002) In Physical Chemistry Chemical Physics 4(13). p.2884-2890
- Contribution to journal › Article
Mark Theoretical study of the discrimination between O(2) and CO by myoglobin.
Sigfridsson, Emma and Ryde, Ulf ^LU (2002) In Journal of Inorganic Biochemistry 91(1). p.101-115
- Contribution to journal › Article
Mark Toward an understanding of the Hofmeister effect: A computer game with dipoles and an ion
Karlström, Gunnar ^LU and Hagberg, Daniel ^LU (2002) In The Journal of Physical Chemistry Part B 106(44). p.11585-11592
- Contribution to journal › Article
Mark The restricted active space (RAS) state interaction approach with spin-orbit coupling
Malmqvist, Per-Åke ^LU ; Roos, Björn ^LU and Schimmelpfennig, B (2002) In Chemical Physics Letters 357(3-4). p.230-240
- Contribution to journal › Article
2001
Mark Structure, strain, and reorganization energy of blue copper models in the protein
Ryde, Ulf ^LU and Olsson, Mats H. M. (2001) In International Journal of Quantum Chemistry 81(5). p.335-347
- Contribution to journal › Article
Mark Inner-sphere reorganization energy of iron-sulfur clusters studied with theoretical methods
Sigfridsson, Emma ; Olsson, Mats H. M. and Ryde, Ulf ^LU (2001) In Inorganic Chemistry 40(11). p.2509-2519
- Contribution to journal › Article
Mark Geometry, Reduction Potential, and Reorganization Energy of the Binuclear CuA Site, Studied by Density Functional Theory
Olsson, Mats H. M. and Ryde, Ulf ^LU (2001) In Journal of the American Chemical Society 123(32). p.7866-7876
- Contribution to journal › Article

« previous
1
…
105
106
107
108
…
113
next »