Takip et
Roland Lindh
Roland Lindh
Professor in Theoretical Chemistry, Uppsala University, Sweden
kemi.uu.se üzerinde doğrulanmış e-posta adresine sahip - Ana Sayfa
Başlık
Alıntı yapanlar
Alıntı yapanlar
Yıl
MOLCAS: a program package for computational chemistry
G Karlström, R Lindh, PÅ Malmqvist, BO Roos, U Ryde, V Veryazov, ...
Computational Materials Science 28 (2), 222-239, 2003
19102003
MOLCAS 7: the next generation
F Aquilante, L De Vico, N Ferré, G Ghigo, P Malmqvist, P Neogrády, ...
Journal of computational chemistry 31 (1), 224-247, 2010
17422010
Main group atoms and dimers studied with a new relativistic ANO basis set
BO Roos, R Lindh, PÅ Malmqvist, V Veryazov, PO Widmark
The Journal of Physical Chemistry A 108 (15), 2851-2858, 2004
16312004
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
F Aquilante, J Autschbach, RK Carlson, LF Chibotaru, MG Delcey, ...
Journal of computational chemistry 37 (5), 506-541, 2016
16122016
New relativistic ANO basis sets for transition metal atoms
BO Roos, R Lindh, PÅ Malmqvist, V Veryazov, PO Widmark
The Journal of Physical Chemistry A 109 (29), 6575-6579, 2005
11762005
OpenMolcas: From source code to insight
I Fdez. Galván, M Vacher, A Alavi, C Angeli, F Aquilante, J Autschbach, ...
Journal of chemical theory and computation 15 (11), 5925-5964, 2019
8212019
MOLPRO, version 2010.1, a package of ab initio programs
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ...
See http://www. molpro. net, 2010
633*2010
Towards an accurate molecular orbital theory for excited states: Ethene, butadiene, and hexatriene
L Serrano‐Andrés, M Merchán, I Nebot‐Gil, R Lindh, BO Roos
The Journal of chemical physics 98 (4), 3151-3162, 1993
5221993
MOLCAS Version 5.4
K Andersson, M Barysz, A Bernhardsson, MRA Blomberg, DL Cooper, ...
Lund University, Sweden 23, 2002
4932002
New Relativistic Atomic Natural Orbital Basis Sets for Lanthanide Atoms with Applications to the Ce Diatom and LuF3
BO Roos, R Lindh, PÅ Malmqvist, V Veryazov, PO Widmark, AC Borin
The Journal of Physical Chemistry A 112 (45), 11431-11435, 2008
4822008
MOLPRO, version 2012.1, a package of ab initio programs
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ...
See http://www. molpro. net, 2012
4162012
Modern quantum chemistry with [Open] Molcas
F Aquilante, J Autschbach, A Baiardi, S Battaglia, VA Borin, LF Chibotaru, ...
The Journal of chemical physics 152 (21), 2020
4102020
Local properties of quantum chemical systems: The LoProp approach
L Gagliardi, R Lindh, G Karlström
The Journal of chemical physics 121 (10), 4494-4500, 2004
4002004
2MOLCAS as a development platform for quantum chemistry software
V Veryazov, PO Widmark, L Serrano‐Andrés, R Lindh, BO Roos
International journal of quantum chemistry 100 (4), 626-635, 2004
3702004
MOLPRO, version 2015.1, a package of ab initio programs
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ...
University of Cardiff Chemistry Consultants (UC3): Cardiff, Wales, UK, 2015
3632015
Low-cost evaluation of the exchange Fock matrix from Cholesky and density fitting representations of the electron repulsion integrals
F Aquilante, TB Pedersen, R Lindh
The Journal of chemical physics 126 (19), 2007
3572007
Unbiased auxiliary basis sets for accurate two-electron integral approximations
F Aquilante, R Lindh, T Bondo Pedersen
The Journal of chemical physics 127 (11), 2007
3532007
Chemi-and bioluminescence of cyclic peroxides
M Vacher, I Fdez. Galván, BW Ding, S Schramm, R Berraud-Pache, ...
Chemical reviews 118 (15), 6927-6974, 2018
3332018
The reduced multiplication scheme of the Rys quadrature and new recurrence relations for auxiliary function based two‐electron integral evaluation
R Lindh, U Ryu, B Liu
The Journal of chemical physics 95 (8), 5889-5897, 1991
3331991
New relativistic ANO basis sets for actinide atoms
BO Roos, R Lindh, PÅ Malmqvist, V Veryazov, PO Widmark
Chemical physics letters 409 (4-6), 295-299, 2005
3162005
Sistem, işlemi şu anda gerçekleştiremiyor. Daha sonra yeniden deneyin.
Makaleler 1–20