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2020 – today
- 2023
[j12]Daniel Sethio
, Poongavanam Vasanthanathan, Ruisheng Xiong, Mohit Tyagi, Duc Duy Vo, Roland Lindh, Jan Kihlberg:
Simulation Reveals the Chameleonic Behavior of Macrocycles. J. Chem. Inf. Model. 63(1): 138-146 (2023)
2010 – 2019
- 2016
- [j11]Francesco Aquilante, Jochen Autschbach, Rebecca K. Carlson, Liviu F. Chibotaru, Mickaël G. Delcey, Luca De Vico, Ignacio Fdez. Galván, Nicolas Ferré, Luis Manuel Frutos, Laura Gagliardi, Marco Garavelli, Angelo Giussani, Chad E. Hoyer, Giovanni Li Manni, Hans Lischka, Dongxia Ma, Per-Åke Malmqvist, Thomas Müller, Artur Nenov, Massimo Olivucci, Thomas Bondo Pedersen, Daoling Peng, Felix Plasser, Ben Pritchard, Markus Reiher, Ivan Rivalta, Igor Schapiro, Javier Segarra-Martí, Michael Stenrup, Donald G. Truhlar, Liviu Ungur, Alessio Valentini, Steven Vancoillie, Valera Veryazov, Victor P. Vysotskiy, Oliver Weingart, Felipe Zapata, Roland Lindh:
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table. J. Comput. Chem. 37(5): 506-541 (2016) - 2015
- [j10]Igor Schapiro, Daniel Roca-Sanjuán, Roland Lindh, Massimo Olivucci:
A surface hopping algorithm for nonadiabatic minimum energy path calculations. J. Comput. Chem. 36(5): 312-320 (2015) - [j9]Michael Stenrup, Roland Lindh, Ignacio Fdez. Galván:
Constrained numerical gradients and composite gradients: Practical tools for geometry optimization and potential energy surface navigation. J. Comput. Chem. 36(22): 1698-1708 (2015) - 2013
- [j8]Patrick Merlot, Thomas Kjærgaard, Trygve Helgaker, Roland Lindh, Francesco Aquilante, Simen Reine, Thomas Bondo Pedersen:
Attractive electron-electron interactions within robust local fitting approximations. J. Comput. Chem. 34(17): 1486-1496 (2013) - [j7]Steven Vancoillie, Mickaël G. Delcey, Roland Lindh, Victor Vysotskiy, Per-Åke Malmqvist, Valera Veryazov:
Parallelization of a multiconfigurational perturbation theory. J. Comput. Chem. 34(22): 1937-1948 (2013) - 2012
- [j6]Hua Dong, Bo-Zhen Chen, Ming-Bao Huang, Roland Lindh:
The bergman cyclizations of the enediyne and its N-substituted analogs using multiconfigurational second-order perturbation theory. J. Comput. Chem. 33(5): 537-549 (2012) - [j5]Daniel Roca-Sanjuán, Marcus Lundberg, David A. Mazziotti, Roland Lindh:
Comment on "Density functional theory study of 1, 2-dioxetanone decomposition in condensed phase". J. Comput. Chem. 33(26): 2124-2126 (2012) - 2010
- [j4]Francesco Aquilante, Luca De Vico, Nicolas Ferré, Giovanni Ghigo, Per-Åke Malmqvist, Pavel Neogrády, Thomas Bondo Pedersen, Michal Pitonák, Markus Reiher, Björn Roos, Luis Serrano-Andrés, Miroslav Urban, Valera Veryazov, Roland Lindh:
MOLCAS 7: The Next Generation. J. Comput. Chem. 31(1): 224-247 (2010) - [j3]Asbjørn Holt, Jonas Boström, Gunnar Karlström, Roland Lindh:
A NEMO potential that includes the dipole-quadrupole and quadrupole-quadrupole polarizability. J. Comput. Chem. 31(8): 1583-1591 (2010)
2000 – 2009
- 2007
- [j2]Pär Söderhjelm, J. W. Krogh, Gunnar Karlström, Ulf Ryde, Roland Lindh:
Accuracy of distributed multipoles and polarizabilities: Comparison between the LoProp and MpProp models. J. Comput. Chem. 28(6): 1083-1090 (2007)
1990 – 1999
- 1996
- [j1]Ola Engkvist, Piotr Borowski, Agneta Bemgård, Gunnar Karlström, Roland Lindh, Anders Colmsjö:
On the Relation between Retention Indexes and the Interaction between the Solute and the Column in Gas-Liquid Chromatography. J. Chem. Inf. Comput. Sci. 36(6): 1153-1161 (1996)
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