Valera Veryazov

31 – 40 of 75

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/person/58fd57ab-ebb3-4246-8d3f-94e823ff02a0?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
…
3
4
5
6
…
8
next »

2013
Mark MOLCAS-a software for multiconfigurational quantum chemistry calculations
Aquilante, Francesco ; Pedersen, Thomas Bondo ; Veryazov, Valera ^LU and Lindh, Roland (2013) In Wiley Interdisciplinary Reviews. Computational Molecular Science 3(2). p.143-149
- Contribution to journal › Article
Mark A new module for constrained multi-fragment geometry optimization in internal coordinates implemented in the MOLCAS package.
Vysotskiy, Victor ^LU ; Boström, Jonas ^LU and Veryazov, Valera ^LU (2013) In Journal of Computational Chemistry 34(30). p.2657-2665
- Contribution to journal › Article
Mark The preferred conformation of dipeptides in the context of biosynthesis
Bywater, Robert P. and Veryazov, Valera ^LU (2013) In Naturwissenschaften 100(9). p.853-859
- Contribution to journal › Article
2012
Mark The binatural orbitals of electronic transitions
Malmqvist, Per-Åke ^LU and Veryazov, Valera ^LU (2012) In Molecular Physics 110(19-20). p.2455-2464
- Contribution to journal › Article
2011
Mark How to Select Active Space for Multiconfigurational Quantum Chemistry?
Veryazov, Valera ^LU ; Malmqvist, Per-Åke ^LU and Roos, Björn ^LU (2011) In International Journal of Quantum Chemistry 111(13). p.3329-3338
- Contribution to journal › Article
2010
Mark Software News and Update MOLCAS 7: The Next Generation
Aquilante, Francesco ; De Vico, Luca ; Ferre, Nicolas ; Ghigo, Giovanni ; Malmqvist, Per-Åke ^LU ; Neogrady, Pavel ; Pedersen, Thomas Bondo ; Pitonak, Michal ; Reiher, Markus and Roos, Björn ^LU , et al. (2010) In Journal of Computational Chemistry 31(1). p.224-247
- Contribution to journal › Scientific review
Mark Utilizing high performance computing for chemistry: parallel computational chemistry
de Jong, Wibe A. ; Bylaska, Eric ; Govind, Niranjan ; Janssen, Curtis L. ; Kowalski, Karol ; Mueller, Thomas ; Nielsen, Ida M. B. ; van Dam, Hubertus J. J. ; Veryazov, Valera ^LU and Lindh, Roland (2010) In Physical Chemistry Chemical Physics 12(26). p.6896-6920
- Contribution to journal › Article
2008
Mark Bond Length and Bond Order in One of the Shortest Cr-Cr Bonds
La Macchia, Giovanni ; Aquilante, Francesco ; Veryazov, Valera ^LU ; Roos, Björn ^LU and Gagliardi, Laura (2008) In Inorganic Chemistry 47(24). p.11455-11457
- Contribution to journal › Article
Mark Not Innocent: Verdict from Ab Initio Multiconfigurational Second-Order Perturbation Theory on the Electronic Structure of Chloroiron Corrole
Roos, Björn ^LU ; Veryazov, Valera ^LU ; Conradie, Jeanet ; Taylor, Peter R. and Ghosh, Abhik (2008) In The Journal of Physical Chemistry Part B 112(45). p.14099-14102
- Contribution to journal › Article
Mark New Relativistic Atomic Natural Orbital Basis Sets for Lanthanide Atoms with Applications to the Ce Diatom and LuF3
Roos, Björn ^LU ; Lindh, Roland ^LU ; Malmqvist, Per-Åke ^LU ; Veryazov, Valera ^LU ; Widmark, Per-Olof ^LU and Borin, Antonio Carlos (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

« previous
1
…
3
4
5
6
…
8
next »