about
Deciphering the role of RNA-binding proteins in the post-transcriptional control of gene expressionEXAFS simulation refinement based on broken-symmetry DFT geometries for the Mn(IV)-Fe(III) center of class I RNR from Chlamydia trachomatis.Structural-functional role of chloride in photosystem IIS1-state model of the O2-evolving complex of photosystem IIEnhancement and de-enhancement effects in vibrational resonance Raman optical activity.Understanding the signatures of secondary-structure elements in proteins with Raman optical activity spectroscopy.Photoinduced proton coupled electron transfer in 2-(2'-hydroxyphenyl)-benzothiazole.Intensity-carrying modes in Raman and Raman optical activity spectroscopy.Calculated Raman optical activity spectra of 1,6-anhydro-beta-D-glucopyranose.Analysis of secondary structure effects on the IR and Raman spectra of polypeptides in terms of localized vibrations.Calculated Raman optical activity signatures of tryptophan side chains.Relevance of the electric-dipole--electric-quadrupole contribution to Raman optical activity spectra.M(O)V(I)P(AC): vibrational spectroscopy with a robust meta-program for massively parallel standard and inverse calculations.Discovery of Open Cubane Core Structures for Biomimetic LnCo3 (OR)4 Water Oxidation Catalysts.Exploring Solvation Effects in Ligand-Exchange Reactions via Static and Dynamic Methods.Dehydrogenation Free Energy of Co2+(aq) from Density Functional Theory-Based Molecular Dynamics.Symmetry Breaking in Chiral Ionic Liquids Evidenced by Vibrational Optical Activity.Sum Frequency Generation of Acetonitrile on a Rutile (110) Surface from Density Functional Theory-Based Molecular Dynamics.Raman Optical Activity Spectra from Density Functional Perturbation Theory and Density-Functional-Theory-Based Molecular Dynamics.Intensity tracking for theoretical infrared spectroscopy of large molecules.3d-4f {Co(II)3Ln(OR)4} Cubanes as Bio-Inspired Water Oxidation Catalysts.Electronic communication in phosphine substituted bridged dirhenium complexes - clarifying ambiguities raised by the redox non-innocence of the C4H2- and C4-bridges.Raman spectra from ab initio molecular dynamics and its application to liquid S-methyloxiranePrediction of Raman Optical Activity Spectra of Chiral 3-Acetylcamphorato-Cobalt ComplexesTheoretical Raman Optical Activity Study of the β Domain of Rat MetallothioneinCorrection to “Calculated Raman Optical Activity Spectra of 1,6-Anhydro-β-d-glucopyranose”Electromagnetic fields in relativistic one-particle equationsIntensity Tracking for Vibrational Spectra of Large MoleculesRaman optical activity spectra of chiral transition metal complexesWhere does the Raman optical activity of [Rh(en)3]3+ come from? Insight from a combined experimental and theoretical approachTowards the rational design of the Py5-ligand framework for ruthenium-based water oxidation catalystsOn the direct calculation of the free energy of quantization for molecular systems in the condensed phaseZooming in on the O-O Bond Formation-An Ab Initio Molecular Dynamics Study Applying Enhanced Sampling TechniquesComplete active space analysis of a reaction pathway: Investigation of the oxygen-oxygen bond formationVibrational (resonance) Raman optical activity with real time time dependent density functional theoryMechanistically Driven Control over Cubane Oxo Cluster Catalysts
P50
Q34832055-BD6D0E42-1CE2-424C-BB30-4D4A3780242AQ37845681-8FE6BBA3-7721-4276-8DC1-7F114A59BED4Q42173580-57F1D1E7-BFD7-4911-B792-199C46D2CB40Q42213630-8533332E-14E8-4812-B2BB-2ADA04378DA8Q43180603-B1AC39BE-B3A5-4FAE-B3A8-ED8D10920FD9Q43243786-5F51962C-8F26-4252-B3DA-4563BC161F60Q45710960-D0D9E127-051B-455E-ABF6-4E44B7E4442AQ45937409-58C011DA-CBAD-49B7-A5E8-0C620EAD2B67Q45944077-D9156AFC-14CE-4168-9B50-ED1847E27F36Q46053956-E43E1DF0-9E88-42B8-A487-7025B0E27FBFQ46349500-8C14DDDB-178A-4CF0-A150-360F452482A1Q46791287-B88B5918-B60F-4AE1-A910-7E0A7DCDD082Q47595501-A4BDD25F-3EFA-4188-BDEF-E7399FEB78ABQ47755767-E029814C-FA4D-4C07-B5A3-B638CBC8D063Q48007077-EBBD156B-9D22-4932-93DA-12CF519B1195Q48046705-F88E8905-905B-4214-99BC-8596DA7E803CQ48099075-A0D74DE0-F350-49B8-A04E-E50BF6B574B3Q48154659-F0F18CA8-C623-4BA4-9339-7F6412A3EAE4Q48217711-624A874F-6945-4EB4-9B3A-10E411428432Q48859002-E060E77E-C0EA-4ECD-82BC-53B49CB8EB75Q50946764-888E8CC2-16C2-4394-A80B-60350FF1299EQ53217828-B839DA37-8B48-4BB5-B269-F2BA1F554BC2Q57162819-A00F7BB7-8546-4C5C-A571-FFA7E3B6640BQ57905386-E40B4448-80BA-43A2-BCEA-4E20C4FA48A6Q57905396-0A6EE2DE-0A23-45BD-BA26-3A6F46E1D3FAQ57905402-5EE9373F-B16D-4325-8B4D-9E6AF59DC802Q57905403-0171E9F2-EF91-415A-B273-5EE1EC050A04Q57905406-B0431963-9DA9-4D01-B988-1957EE8D7937Q57905436-EEE5B815-F74E-4A69-88EB-55747B763F18Q58818552-EF59DECF-62AD-4A80-8507-9C42C245FB9AQ63342511-D88AE85F-92F9-44DB-A1C7-F386654D7C81Q63342569-ADD66AAB-C781-4546-A425-D5E8755C5E83Q90620439-315329B7-CBC0-40CA-89B6-F490A5182AA8Q91913902-ACEB89A9-9D02-436A-A4AD-9C92B5E4C366Q92171985-6880E274-5C02-402B-9CEE-BC5348000F3FQ92236844-BF1057CD-7F44-49D2-8ABD-E22EC66E9F68
P50
description
hulumtuese
@sq
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Sandra Luber
@ast
Sandra Luber
@en
Sandra Luber
@es
Sandra Luber
@nl
Sandra Luber
@sl
type
label
Sandra Luber
@ast
Sandra Luber
@en
Sandra Luber
@es
Sandra Luber
@nl
Sandra Luber
@sl
prefLabel
Sandra Luber
@ast
Sandra Luber
@en
Sandra Luber
@es
Sandra Luber
@nl
Sandra Luber
@sl
P1053
M-6475-2016
P106
P21
P31
P3829
P496
0000-0002-6203-9379