Roland Lindh (Former)

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2023
Mark The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry
Li Manni, Giovanni ; Aquilante, Francesco ^LU ; Delcey, Mickael ^LU ; De Vico, Luca ^LU ; Guo, Meiyuan ^LU ; Nguyen, Vu ; Veryazov, Valera ^LU ; Zhou, Chen and Lindh, Roland ^LU (2023) In Journal of Chemical Theory and Computation 19(20). p.6933-6991
- Contribution to journal › Article
2020
Mark Non-radiative decay and fragmentation in water molecules after 1a₁^-14a₁ excitation and core ionization studied by electron-energy-resolved electron-ion coincidence spectroscopy
Sankari, Anna ^LU ; Stråhlman, Christian ^LU ; Sankari, Rami ^LU ; Partanen, Leena ; Laksman, Joakim ^LU ; Kettunen, J. Antti ; Galván, Ignacio Fdez ; Lindh, Roland ^LU ; Malmqvist, Per Åke ^LU and Sorensen, Stacey L. ^LU (2020) In Journal of Chemical Physics 152(7).
- Contribution to journal › Article
Mark Modern quantum chemistry with [Open]Molcas
Aquilante, Francesco ^LU ; Autschbach, Jochen ; Baiardi, Alberto ; Battaglia, Stefano ; Borin, Veniamin A. ; Chibotaru, Liviu F. ; Conti, Irene ; De Vico, Luca ^LU ; Delcey, Mickaël ^LU and Fdez Galván, Ignacio , et al. (2020) In The Journal of chemical physics 152(21).
- Contribution to journal › Article
2019
Mark OpenMolcas : From Source Code to Insight
Fdez. Galván, Ignacio ; Vacher, Morgane ; Alavi, Ali ; Angeli, Celestino ; Aquilante, Francesco ^LU ; Autschbach, Jochen ; Bao, Jie J. ; Bokarev, Sergey I. ; Bogdanov, Nikolay A. and Carlson, Rebecca K. , et al. (2019) In Journal of Chemical Theory and Computation 15(11). p.5925-5964
- Contribution to journal › Scientific review
2018
Mark Uncontracted basis sets for ab initio calculations of muonic atoms and molecules
Ugandi, Mihkel ; Fdez. Galván, Ignacio ; Widmark, Per Olof ^LU and Lindh, Roland ^LU (2018) In International Journal of Quantum Chemistry 118(21).
- Contribution to journal › Article
2017
Mark Influence of the choice of projection manifolds in the CASPT2 implementation
Yanai, Takeshi ; Kurashige, Yuki ; Saitow, Masaaki ; Chalupský, Jakub ; Lindh, Roland ^LU and Malmqvist, Per Åke ^LU (2017) In Molecular Physics 115(17-18). p.2077-2085
- Contribution to journal › Article
2016
Mark Multiconfigurational Quantum Chemistry
Roos, Björn O. ^LU ; Lindh, Roland ^LU ; Malmqvist, Perske ^LU ; Veryazov, Valera ^LU and Widmark, Per Olof ^LU (2016)
- Book/Report › Book
2010
Mark Color-Tuning Mechanism of Firefly Investigated by Multi-Configurational Perturbation Method.
Navizet, Isabelle ; Liu, Ya-Jun ^LU ; Ferré, Nicolas ; Xiao, Hong-Yan ; Fang, Wei-Hai and Lindh, Roland ^LU (2010) In Journal of the American Chemical Society 132(2). p.706-712
- Contribution to journal › Article
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 A NEMO potential that includes the dipole-quadrupole and quadrupole-quadrupole polarizability.
Holt, Asbjörn ^LU ; Boström, Jonas ^LU ; Karlström, Gunnar ^LU and Lindh, Roland ^LU (2010) In Journal of Computational Chemistry 31(8). p.1583-1591
- Contribution to journal › Article

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