Articles with public access mandates - Kenneth RuudLearn more
Not available anywhere: 15
Polarizable density embedding: A new QM/QM/MM-based computational strategy
JMH Olsen, C Steinmann, K Ruud, J Kongsted
The Journal of Physical Chemistry A 119 (21), 5344-5355, 2015
Mandates: Danish Council for Independent Research, European Commission, Research …
DFT as a powerful predictive tool in photoredox catalysis: redox potentials and mechanistic analysis
TB Demissie, K Ruud, JH Hansen
Organometallics 34 (17), 4218-4228, 2015
Mandates: European Commission, Research Council of Norway
Chemical control of channel interference in two-photon absorption processes
MM Alam, M Chattopadhyaya, S Chakrabarti, K Ruud
Accounts of Chemical Research 47 (5), 1604-1612, 2014
Mandates: Council of Scientific and Industrial Research, India, European Commission
Gauge-origin independent calculation of magnetizabilities and rotational g tensors at the coupled-cluster level
J Gauss, K Ruud, M Kállay
The Journal of chemical physics 127 (7), 2007
Mandates: German Research Foundation
A general, recursive, and open‐ended response code
M Ringholm, D Jonsson, K Ruud
Journal of Computational Chemistry 35 (8), 622-633, 2014
Mandates: European Commission
High-Polarity Solvents Decreasing the Two-Photon Transition Probability of Through-Space Charge-Transfer Systems A Surprising In Silico Observation
MM Alam, M Chattopadhyaya, S Chakrabarti, K Ruud
The Journal of Physical Chemistry Letters 3 (8), 961-966, 2012
Mandates: Council of Scientific and Industrial Research, India
Importance of backbone angles versus amino acid configurations in peptide vibrational Raman optical activity spectra
C Herrmann, K Ruud, M Reiher
Chemical Physics 343 (2-3), 200-209, 2008
Mandates: Swiss National Science Foundation
Multiconfigurational self-consistent field calculations of the magnetically induced current density using gauge-including atomic orbitals
S Pathak, R Bast, K Ruud
Journal of Chemical Theory and Computation 9 (5), 2189-2198, 2013
Mandates: Department of Science & Technology, India
Differences in two‐photon and one‐photon absorption profiles induced by vibronic coupling: the case of dioxaborine heterocyclic dye
N Lin, Y Luo, K Ruud, X Zhao, F Santoro, A Rizzo
ChemPhysChem 12 (17), 3392-3403, 2011
Mandates: Swedish Research Council
Anomalous phosphorescence from an organometallic white-light phosphor
L Paul, S Chakrabarti, K Ruud
The Journal of Physical Chemistry Letters 8 (19), 4893-4897, 2017
Mandates: Council of Scientific and Industrial Research, India
Three-photon circular dichroism: towards a generalization of chiroptical non-linear light absorption
DH Friese, K Ruud
Physical Chemistry Chemical Physics 18 (5), 4174-4184, 2016
Mandates: Research Council of Norway
Parallelization of the polarizable embedding scheme for higher-order response functions
AH Steindal, JMH Olsen, L Frediani, J Kongsted, K Ruud
Molecular Physics 110 (19-20), 2579-2586, 2012
Mandates: Danish Council for Technology and Innovation
Accidental triplet harvesting in donor–acceptor dyads with low spin–orbit coupling
P Karak, T Moitra, A Banerjee, K Ruud, S Chakrabarti
Physical Chemistry Chemical Physics 26 (6), 5344-5355, 2024
Mandates: Council of Scientific and Industrial Research, India, Research Council of Norway
Theoretical investigation of two model systems for molecular photoswitch functionality. I. 2-(4-nitropyrimidin-2-yl) ethenol
C Woywod, A Csehi, GJ Halász, K Ruud, Á Vibók
Molecular Physics 112 (5-6), 818-835, 2014
Mandates: Hungarian Scientific Research Fund
Computational Challenges in Vibrational Contributions to (non) linear Optical Properties in the Gas and Liquid Phase
K Ruud
Advances in Computational Methods in Sciences and Engineering 2005 (2 vols …, 2022
Mandates: Research Council of Norway
Available somewhere: 91
Benchmarking two-photon absorption cross sections: performance of CC2 and CAM-B3LYP
MTP Beerepoot, DH Friese, NH List, J Kongsted, K Ruud
Physical Chemistry Chemical Physics 17 (29), 19306-19314, 2015
Mandates: Danish Council for Independent Research, European Commission, Research …
All-metal aromaticity: revisiting the ring current model among transition metal clusters
Z Badri, S Pathak, H Fliegl, P Rashidi-Ranjbar, R Bast, R Marek, ...
Journal of chemical theory and computation 9 (11), 4789-4796, 2013
Mandates: Department of Science & Technology, India
Pyrrolo[3,2‐b]pyrroles—From Unprecedented Solvatofluorochromism to Two‐Photon Absorption
DH Friese, A Mikhaylov, M Krzeszewski, YM Poronik, A Rebane, K Ruud, ...
Chemistry–A European Journal 21 (50), 18364-18374, 2015
Mandates: US National Institutes of Health, European Commission, Research Council of …
ReSpect: Relativistic spectroscopy DFT program package
M Repisky, S Komorovsky, M Kadek, L Konecny, U Ekström, E Malkin, ...
The Journal of Chemical Physics 152 (18), 2020
Mandates: Research Council of Norway
Structure, solvent, and relativistic effects on the NMR chemical shifts in square-planar transition-metal complexes: assessment of DFT approaches
J Vícha, J Novotný, M Straka, M Repisky, K Ruud, S Komorovsky, R Marek
Physical Chemistry Chemical Physics 17 (38), 24944-24955, 2015
Mandates: Research Council of Norway
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