Roland Lindh

12 papers Journal 12
YearRankTypeTitle / Venue / Authors
2023 J jnl
Simulation Reveals the Chameleonic Behavior of Macrocycles.
J. Chem. Inf. Model.
Daniel Sethio, Poongavanam Vasanthanathan, Ruisheng Xiong, Mohit Tyagi, Duc Duy Vo, Roland Lindh, Jan Kihlberg
2016 J jnl
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.
J. Comput. Chem.
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
2015 J jnl
A surface hopping algorithm for nonadiabatic minimum energy path calculations.
J. Comput. Chem.
Igor Schapiro, Daniel Roca-Sanjuán, Roland Lindh, Massimo Olivucci
2015 J jnl
Constrained numerical gradients and composite gradients: Practical tools for geometry optimization and potential energy surface navigation.
J. Comput. Chem.
Michael Stenrup, Roland Lindh, Ignacio Fdez. Galván
2013 J jnl
Attractive electron-electron interactions within robust local fitting approximations.
J. Comput. Chem.
Patrick Merlot, Thomas Kjærgaard, Trygve Helgaker, Roland Lindh, Francesco Aquilante, Simen Reine, Thomas Bondo Pedersen
2013 J jnl
Parallelization of a multiconfigurational perturbation theory.
J. Comput. Chem.
Steven Vancoillie, Mickaël G. Delcey, Roland Lindh, Victor Vysotskiy, Per-Åke Malmqvist, Valera Veryazov
2012 J jnl
Comment on "Density functional theory study of 1, 2-dioxetanone decomposition in condensed phase".
J. Comput. Chem.
Daniel Roca-Sanjuán, Marcus Lundberg, David A. Mazziotti, Roland Lindh
2012 J jnl
The bergman cyclizations of the enediyne and its N-substituted analogs using multiconfigurational second-order perturbation theory.
J. Comput. Chem.
Hua Dong, Bo-Zhen Chen, Ming-Bao Huang, Roland Lindh
2010 J jnl
A NEMO potential that includes the dipole-quadrupole and quadrupole-quadrupole polarizability.
J. Comput. Chem.
Asbjørn Holt, Jonas Boström, Gunnar Karlström, Roland Lindh
2010 J jnl
MOLCAS 7: The Next Generation.
J. Comput. Chem.
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
2007 J jnl
Accuracy of distributed multipoles and polarizabilities: Comparison between the LoProp and MpProp models.
J. Comput. Chem.
Pär Söderhjelm, J. W. Krogh, Gunnar Karlström, Ulf Ryde, Roland Lindh
1996 J jnl
On the Relation between Retention Indexes and the Interaction between the Solute and the Column in Gas-Liquid Chromatography.
J. Chem. Inf. Comput. Sci.
Ola Engkvist, Piotr Borowski, Agneta Bemgård, Gunnar Karlström, Roland Lindh, Anders Colmsjö