Search

Your search keyword '"Knecht, Stefan"' showing total 28 results
Start Over Author "Knecht, Stefan" Publisher wiley
28 results on '"Knecht, Stefan"'

1. Solution‐state 2D NMR spectroscopy of mixtures hyperpolarized using optically polarized crystals

Author

Parker, Anna J., primary, Dey, Arnab, additional, Qureshi, Mohammed Usman, additional, Steiner, Jakob M., additional, Blanchard, John W., additional, Scheuer, Jochen, additional, Tomek, Nikolas, additional, Knecht, Stefan, additional, Josten, Felix, additional, Muller, Christoph, additional, Hautle, Patrick, additional, Schwartz, Ilai, additional, Giraudeau, Patrick, additional, Eichhorn, Tim, additional, and Dumez, Jean-Nicolas, additional

Published
2023
Full Text
View/download PDF

2. Notizen aus der Chemie

Author

Heine, Johanna, primary, Hinz, Alexander, additional, Hoch, Constantin, additional, Jahn, Ullrich, additional, Knecht, Stefan, additional, Kries, Hajo, additional, Meermann, Björn, additional, Mutlu, Hatice, additional, Schnepf, Andreas, additional, and Tzschucke, Carl‐Christoph, additional

Published
2020
Full Text
View/download PDF

3. Notizen aus der Chemie

Author

Heine, Johanna, primary, Hoch, Constantin, additional, Jahn, Ullrich, additional, Knecht, Stefan, additional, Kries, Hajo, additional, Meermann, Björn, additional, Schnepf, Andreas, additional, Tzschucke, Carl Christoph, additional, and Zegke, Markus, additional

Published
2019
Full Text
View/download PDF

4. Notizen aus der Chemie

Author

Delaittre, Guillaume, primary, Heine, Johanna, additional, Jahn, Ullrich, additional, Knecht, Stefan, additional, Kries, Hajo, additional, Meermann, Björn, additional, Schnepf, Andreas, additional, Strub, Erik, additional, and Tzschucke, Carl Christoph, additional

Published
2019
Full Text
View/download PDF

6. Notizen aus der Chemie

Author

Beemelmanns, Christine, primary, Delaittre, Guillaume, additional, Heine, Johanna, additional, Hoch, Constantin, additional, Jahn, Ullrich, additional, Knecht, Stefan, additional, Meermann, Björn, additional, Schnepf, Andreas, additional, Strub, Erik, additional, and Tzschucke, Carl Christoph, additional

Published
2018
Full Text
View/download PDF

7. Notizen aus der Chemie

Author

Deska, Jan, primary, Heine, Johanna, additional, Hoch, Constantin, additional, Jahn, Ullrich, additional, Knecht, Stefan, additional, Meermann, Björn, additional, Schnepf, Andreas, additional, Strub, Erik, additional, and Tzschucke, Carl Christoph, additional

Published
2018
Full Text
View/download PDF

8. Multiconfigurational Effects in Theoretical Resonance Raman Spectra

Author

Ma, Yingjin, Knecht, Stefan, and Reiher, Markus

Subjects
Quantitative Biology::Biomolecules
Abstract

We analyze resonance Raman spectra of the nucleobase uracil in the short-time approximation calculated with multiconfigurational methods. We discuss the importance of static electron correlation by means of density-matrix renormalization group self-consistent field (DMRG-SCF) calculations. Our DMRG-SCF results reveal that a minimal active orbital space that leads to a qualitatively correct description of the resonance Raman spectrum of uracil should encompass parts of the σ/σ* bonding/anti-bonding orbitals of the pyrimidine ring. We trace these findings back to the considerable entanglement between the σ/σ* bonding/anti-bonding as well as valence π/π* orbitals in the excited-state electronic structure of uracil, which indicates non-negligible non-dynamical correlation effects that are less pronounced in the electronic ground state., ChemPhysChem, 18 (4), ISSN:1439-4235, ISSN:1439-7641

Published
2017

9. The Dalton quantum chemistry program system

Author

Aidas, Kestutis, Angeli, Celestino, Bak, Keld L., Bast, Radovan, Boman, Linus, Christiansen, Ove, Cimiraglia, Renzo, Coriani, Sonia, Dalskov, Erik K., Enevoldsen, Thomas, Eriksen, Janus J., Ettenhuber, Patrick, Ferrighi, Lara, Fliegl, Heike, Frediani, Luca, Hald, Kasper, Halkier, Asger, Heiberg, Hanne, Helgaker, Trygve, Hennum, Alf Christian, Hettema, Hinne, Hjertenaes, Eirik, Iozzi, Maria Francesca, Jonsson, Dan, Kauczor, Joanna, Kirpekar, Sheela, Kjaergaard, Thomas, Klopper, Wim, Knecht, Stefan, Kobayashi, Rika, Koch, Henrik, Kongsted, Jacob, Krapp, Andreas, Kristensen, Kasper, Ligabue, Andrea, Lutnaes, Ola B., Melo, Juan I., Mikkelsen, Kurt V., Myhre, Rolf H., Neiss, Christian, Nielsen, Christian B., Norman, Patrick, Olsen, Jeppe, Osted, Anders, Packer, Martin J., Pawlowski, Filip, Pedersen, Thomas B., Provasi, Patricio F., Reine, Simen, Rinkevicius, Zilvinas, Ruden, Torgeir A., Ruud, Kenneth, Rybkin, Vladimir V., Sa?ek, Pawel, Samson, Claire C. M., Saue, Trond, Sauer, Stephan P. A., Schimmelpfennig, Bernd, Sneskov, Kristian, Steindal, Arnfinn H., Sylvester-Hvid, Kristian O., Taylor, Peter R., Teale, Andrew M., Tellgren, Erik I., Tew, David P., Thorvaldsen, Andreas J., Vahtras, Olav, Watson, Mark A., Wilson, David J. D., and Ziolkowski, Marcin

Published
2013

10. The Dalton quantum chemistry program system

Author

Aidas, Kestutis, Angeli, Celestino, Bak, Keld L., Bakken, Vebjorn, Bast, Radovan, Boman, Linus, Christiansen, Ove, Cimiraglia, Renzo, Coriani, Sonia, Dahle, Pal, Dalskov, Erik K., Ekstrom, Ulf, Enevoldsen, Thomas, Eriksen, Janus J., Ettenhuber, Patrick, Fernandez, Berta, Ferrighi, Lara, Fliegl, Heike, Frediani, Luca, Hald, Kasper, Halkier, Asger, Hattig, Christof, Heiberg, Hanne, Helgaker, Trygve, Christian Hennum, Alf, Hettema, Hinne, Hjertenaes, Eirik, Host, Stinne, Hoyvik, Ida-Marie, Francesca Iozzi, Maria, Jansik, Branislav, Jorgen Aa. Jensen, Hans, Jonsson, Dan, Jorgensen, Poul, Kauczor, Joanna, Kirpekar, Sheela, Kjrgaard, Thomas, Klopper, Wim, Knecht, Stefan, Kobayashi, Rika, Koch, Henrik, Kongsted, Jacob, Krapp, Andreas, Kristensen, Kasper, Ligabue, Andrea, B. Lutnaes, Ola, I. Melo, Juan, V. Mikkelsen, Kurt, H. Myhre, Rolf, Neiss, Christian, B. Nielsen, Christian, Norman, Patrick, Olsen, Jeppe, Magnus H. Olsen, Jogvan, Osted, Anders, J. Packer, Martin, Pawlowski, Filip, B. Pedersen, Thomas, F. Provasi, Patricio, Reine, Simen, Rinkevicius, Zilvinas, A. Ruden, Torgeir, Ruud, Kenneth, V. Rybkin, Vladimir, Salek, Pawel, C. M. Samson, Claire, Sanchez de Meras, Alfredo, Saue, Trond, P. A. Sauer, Stephan, Schimmelpfennig, Bernd, Sneskov, Kristian, H. Steindal, Arnfinn, O. Sylvester-Hvid, Kristian, R. Taylor, Peter, M. Teale, Andrew, I. Tellgren, Erik, P. Tew, David, J. Thorvaldsen, Andreas, Thogersen, Lea, Vahtras, Olav, A. Watson, Mark, J. D. Wilson, David, Ziolkowski, Marcin, Agren, Hans, Aidas, Kestutis, Angeli, Celestino, Bak, Keld L., Bakken, Vebjorn, Bast, Radovan, Boman, Linus, Christiansen, Ove, Cimiraglia, Renzo, Coriani, Sonia, Dahle, Pal, Dalskov, Erik K., Ekstrom, Ulf, Enevoldsen, Thomas, Eriksen, Janus J., Ettenhuber, Patrick, Fernandez, Berta, Ferrighi, Lara, Fliegl, Heike, Frediani, Luca, Hald, Kasper, Halkier, Asger, Hattig, Christof, Heiberg, Hanne, Helgaker, Trygve, Christian Hennum, Alf, Hettema, Hinne, Hjertenaes, Eirik, Host, Stinne, Hoyvik, Ida-Marie, Francesca Iozzi, Maria, Jansik, Branislav, Jorgen Aa. Jensen, Hans, Jonsson, Dan, Jorgensen, Poul, Kauczor, Joanna, Kirpekar, Sheela, Kjrgaard, Thomas, Klopper, Wim, Knecht, Stefan, Kobayashi, Rika, Koch, Henrik, Kongsted, Jacob, Krapp, Andreas, Kristensen, Kasper, Ligabue, Andrea, B. Lutnaes, Ola, I. Melo, Juan, V. Mikkelsen, Kurt, H. Myhre, Rolf, Neiss, Christian, B. Nielsen, Christian, Norman, Patrick, Olsen, Jeppe, Magnus H. Olsen, Jogvan, Osted, Anders, J. Packer, Martin, Pawlowski, Filip, B. Pedersen, Thomas, F. Provasi, Patricio, Reine, Simen, Rinkevicius, Zilvinas, A. Ruden, Torgeir, Ruud, Kenneth, V. Rybkin, Vladimir, Salek, Pawel, C. M. Samson, Claire, Sanchez de Meras, Alfredo, Saue, Trond, P. A. Sauer, Stephan, Schimmelpfennig, Bernd, Sneskov, Kristian, H. Steindal, Arnfinn, O. Sylvester-Hvid, Kristian, R. Taylor, Peter, M. Teale, Andrew, I. Tellgren, Erik, P. Tew, David, J. Thorvaldsen, Andreas, Thogersen, Lea, Vahtras, Olav, A. Watson, Mark, J. D. Wilson, David, Ziolkowski, Marcin, and Agren, Hans

Abstract

Dalton is a powerful general-purpose program system for the study of molecular electronic structure at the Hartree-Fock, Kohn-Sham, multiconfigurational self-consistent-field, MOller-Plesset, configuration-interaction, and coupled-cluster levels of theory. Apart from the total energy, a wide variety of molecular properties may be calculated using these electronic-structure models. Molecular gradients and Hessians are available for geometry optimizations, molecular dynamics, and vibrational studies, whereas magnetic resonance and optical activity can be studied in a gauge-origin-invariant manner. Frequency-dependent molecular properties can be calculated using linear, quadratic, and cubic response theory. A large number of singlet and triplet perturbation operators are available for the study of one-, two-, and three-photon processes. Environmental effects may be included using various dielectric-medium and quantum-mechanics/molecular-mechanics models. Large molecules may be studied using linear-scaling and massively parallel algorithms. Dalton is distributed at no cost from for a number of UNIX platforms.

Published
2014
Full Text
View/download PDF

17. Reply

Author

Floel, Agnes, primary, Nagorsen, Ulrike, additional, Werhahn, Konrad J., additional, Ravindran, Shashi, additional, Birbaumer, Niels, additional, Knecht, Stefan, additional, and Cohen, Leonardo G., additional

Published
2005
Full Text
View/download PDF

18. Crossed cerebro-cerebellar language dominance

Author

Jansen, Andreas, primary, Flöel, Agnes, additional, Van Randenborgh, Jutta, additional, Konrad, Carsten, additional, Rotte, Michael, additional, Förster, Ann-Freya, additional, Deppe, Michael, additional, and Knecht, Stefan, additional

Published
2004
Full Text
View/download PDF

27. Executive performance is related to regional gray matter volume in healthy older individuals.

Author

Ruscheweyh R, Deppe M, Lohmann H, Wersching H, Korsukewitz C, Duning T, Bluhm S, Stehling C, Keller SS, and Knecht S

Subjects
Adult, Age Factors, Aged, Aged, 80 and over, Female, Germany, Humans, Image Processing, Computer-Assisted, Magnetic Resonance Imaging, Male, Middle Aged, Models, Statistical, Neuropsychological Tests, Sex Factors, Stereotaxic Techniques, Aging, Brain anatomy & histology, Brain physiology, Brain Mapping, Executive Function physiology
Abstract

Individual differences in executive functioning and brain morphology are considerable. In this study, we investigated their interrelation in a large sample of healthy older individuals. Digit span, trail-making, and Stroop tasks were used to assess different executive subfunctions in 367 nondemented community-dwelling individuals (50-81 years). Task performance was analyzed relative to brain structure using voxel-based morphometry, corrected for age and sex. Improved task performance was associated with increased local gray matter volume in task-specific patterns that showed partial, but not complete overlap with known task-specific functional imaging patterns. While all three tasks showed associations with prefrontal gray matter volume as expected for executive functioning, the strongest overlap between the three tasks was found in insular cortex, suggesting that it has a previously underestimated role for executive functions. The association between the insular cortex and executive functioning was corroborated using stereological region-of-interest measurement of insular volume in a subgroup of 93 subjects. Quantitatively, the volume of the single most strongly related region explained 2.4 ± 1.1% of the variance in executive performance over and above the variance explained by age, which amounted to 7.4 ± 4.1%. The age-independent peak associations between executive performance and gray matter described here occurred in regions that were also strongly affected by age-related gray matter atrophy, consistent with the hypothesis that age-related regional brain volume loss and age-related cognitive changes are linked., (Copyright © 2012 Wiley Periodicals, Inc.)

Published
2013
Full Text
View/download PDF

28. Crossed cerebro-cerebellar language dominance.

Author

Jansen A, Flöel A, Van Randenborgh J, Konrad C, Rotte M, Förster AF, Deppe M, and Knecht S

Subjects
Adult, Cerebellum anatomy & histology, Cerebral Cortex anatomy & histology, Dominance, Cerebral physiology, Female, Functional Laterality, Humans, Image Processing, Computer-Assisted, Magnetic Resonance Imaging, Male, Photic Stimulation, Brain Mapping, Cerebellum physiology, Cerebral Cortex physiology, Language, Speech Perception physiology
Abstract

In addition to its traditional role in motor control, the cerebellum has been implicated in various cognitive and linguistic functions. Lesion, anatomic, and functional imaging studies indicate a link between left frontal language regions and the right cerebellum. To probe the specificity of this circuit, we examined the association between language-related lateralized activation of the frontal cortex with lateralized activation of the cerebellum. Functional magnetic resonance imaging (fMRI) was carried out during letter-cued word generation in 14 healthy subjects: 7 subjects displayed typical left-hemisphere and 7 subjects displayed atypical right-hemisphere language dominance. We found activation of the cerebellar hemisphere contralateral to the language-dominant cerebral hemisphere in each subject. The cerebellar activation was confined to the lateral posterior cerebellar hemisphere (lobule VI, VII B, Cr I, Cr II). This study demonstrates that crossed cerebral and cerebellar language dominance is a typical characteristic of brain organization. The functional significance of the reported activations can now be tested in patients with lesions of the lateral posterior cerebellum., (Copyright 2004 Wiley-Liss, Inc.)

Published
2005
Full Text
View/download PDF

Catalog

Books, media, physical & digital resources
See catalog results