Molekel: an interactive molecular graphics tool: computational chemistry column
S Portmann, HP Lüthi - Chimia, 2000 - ojs.chimia.ch
MOLEKEL is an interactive visualization ('postprocessing') program for molecular and
electronic structure data, generating high-quality graphics for use in research and education. …
electronic structure data, generating high-quality graphics for use in research and education. …
Interaction energies of van der Waals and hydrogen bonded systems calculated using density functional theory: Assessing the PW91 model
S Tsuzuki, HP Lüthi - The Journal of Chemical Physics, 2001 - pubs.aip.org
The performance of density functional theory using the Perdew and Wang’s exchange and
correlation functionals (PW91) functional for the prediction of intermolecular interaction …
correlation functionals (PW91) functional for the prediction of intermolecular interaction …
On the accurate calculation of polarizabilities and second hyperpolarizabilities of polyacetylene oligomer chains using the CAM-B3LYP density functional
PA Limacher, KV Mikkelsen, HP Lüthi - The Journal of chemical …, 2009 - pubs.aip.org
The polarizability and second hyperpolarizability of polyacetylene oligomer chains of increasing
size up to C 24 H 26 were investigated by means of the Coulomb-attenuating method (…
size up to C 24 H 26 were investigated by means of the Coulomb-attenuating method (…
Binding energies, molecular structures, and vibrational frequencies of transition metal carbonyls using density functional theory with gradient corrections
B Delley, M Wrinn, HP Lüthi - The Journal of chemical physics, 1994 - pubs.aip.org
The performance of the density functional theory (DFT) methods with different gradient
corrections as an approach for the computation of transition metal complexes has been evaluated…
corrections as an approach for the computation of transition metal complexes has been evaluated…
[HTML][HTML] Development and validation of a self-report version of the Spinal Cord Independence Measure (SCIM III)
…, M Baumberger, A Catz, M Itzkovich, H Lüthi… - Spinal cord, 2013 - nature.com
Study design: Cross-sectional validation study. Objectives: To develop and validate a self-report
version of the Spinal Cord Independence Measure (SCIM III). Setting: Two SCI …
version of the Spinal Cord Independence Measure (SCIM III). Setting: Two SCI …
Time-dependent density functional theory (TDDFT) study of the excited charge-transfer state formation of a series of aromatic donor− acceptor systems
C Jamorski Jödicke, HP Lüthi - Journal of the American Chemical …, 2003 - ACS Publications
… Hans Peter Lüthi … Hans Peter Lüthi - Contribution from the Laboratorium für Physikalische
Chemie, … H. Jödicke for interesting and stimulating discussions as well as for his continuous …
Chemie, … H. Jödicke for interesting and stimulating discussions as well as for his continuous …
Electronic structure optimization in plane-wave-based density functional calculations by direct inversion in the iterative subspace
J Hutter, HP Lüthi, M Parrinello - Computational Materials Science, 1994 - Elsevier
… and H are the first and second derivatives of the energy density functional with respect to the
coefficients c. In the same approximation, H … is diagonally dominant and tends to H Ks , We …
coefficients c. In the same approximation, H … is diagonally dominant and tends to H Ks , We …
[BOOK][B] Komplementaritäts-und Fixpunktalgorithmen in der mathematischen Programmierung, Spieltheorie und Ökonomie
HJ Lüthi - 2013 - books.google.com
… H.-J. Lüthi hat die Wendung, welche die Dinge nahmen, in einem frühen Zeitpunkt klar erkannt.
Er … Lüthi verfügen wir über eine umfassende, zielgerichtete und den heutigen Stand der …
Er … Lüthi verfügen wir über eine umfassende, zielgerichtete und den heutigen Stand der …
[BOOK][B] Assessments in der Rehabilitation: Band 1: Neurologie. 4.
S Schädler, J Kool, H Lüthi, D Marks, P Oesch, A Pfeffer… - 2019 - books.google.com
Nach Band 2 (Bewegungsapparat) im vergangenen Jahr, ist nun auch der Band 1 (Neurologie)
der Autorengruppe neu aufgelegt und macht die Serie der" Assessments in der …
der Autorengruppe neu aufgelegt und macht die Serie der" Assessments in der …
Sirenomelia, the mermaid syndrome—detection in the first trimester
…, O Lapaire, N Willi, H Lüthi… - … in Affiliation With the …, 2003 - Wiley Online Library
The sirenomelia sequence with fusion, rotation, hypotrophy or atrophy of the lower limbs in
combination with severe urogenital and gastrointestinal malformations is a rare and usually …
combination with severe urogenital and gastrointestinal malformations is a rare and usually …