about
Trinuclear copper(II) complexes derived from Schiff-base ligands based on a 6-amino-6-deoxyglucopyranoside: structural and magnetic characterization.EXAFS simulation refinement based on broken-symmetry DFT geometries for the Mn(IV)-Fe(III) center of class I RNR from Chlamydia trachomatis.Quantum Chemical Calculations and Experimental Validation of the Photoclick Reaction for Fluorescent Labeling of the 5' cap of Eukaryotic mRNAs.Understanding coherent transport through π-stacked systems upon spatial dislocation.Influence of Radical Bridges on Electron Spin Coupling.Electronic communication through molecular bridges.QM/MM vibrational mode tracking.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.Toward an automated analysis of exchange pathways in spin-coupled systems.Modeling adsorbate-induced property changes of carbon nanotubes.Limits of Molecular Dithienylethene Switches Caused by Ferrocenyl Substitution.Performance of range-separated hybrid exchange-correlation functionals for the calculation of magnetic exchange coupling constants of organic diradicals.Can Raman optical activity separate axial from local chirality? A theoretical study of helical deca-alanine.Mode-tracking based stationary-point optimization.Charge delocalization in an organic mixed valent bithiophene is greater than in a structurally analogous biselenophene.Ghost transmission: How large basis sets can make electron transport calculations worse.The Electronic Structure of the Tris(ethylene) Complexes [M(C2H4)3] (M=Ni, Pd, and Pt): A Combined Experimental and Theoretical StudySynthesis, Structures, and Magnetic Properties ofN-Trialkylsilyl-8-amidoquinoline Complexes of Chromium, Manganese, Iron, and Cobalt as well as of Wheel-Like Hexanuclear Iron(II) and Manganese(II) Bis(8-amidoquinoline)Restrained optimization of broken-symmetry determinantsImportance of backbone angles versus amino acid configurations in peptide vibrational Raman optical activity spectraSpin–Spin interactions in polynuclear transition-metal complexesFinding a needle in a haystack: direct determination of vibrational signatures in complex systemsFirst-Principles Approach to Vibrational Spectroscopy of BiomoleculesThe First Photoexcitation Step of Ruthenium-Based Models for Artificial Photosynthesis Highlighted by Resonance Raman SpectroscopyDirect targeting of adsorbate vibrations with mode-trackingSpin states in polynuclear clusters: The [Fe2O2] core of the methane monooxygenase active siteComparative analysis of local spin definitionsTheoretical Study on the Spin-State Energy Splittings and Local Spin in Cationic [Re]−Cn−[Re] ComplexesSynthesis, characterization and magnetic properties of head-to-head stacked vanadocenesGenLocDip: A Generalized Program to Calculate and Visualize Local Electric Dipole MomentsLarge Magnetoresistance in Single-Radical Molecular JunctionsLocal electric dipole moments: A generalized approachA Green’s-Function Approach to Exchange Spin Coupling As a New Tool for Quantum ChemistryCommunication through molecular bridges: Different bridge orbital trends result in common property trendsIncreasing Magnetic Coupling through Oxidation of a Ferrocene BridgePhotoswitching Behavior of a Cyclohexene-Bridged versus a Cyclopentene-Bridged Dithienylethene System.2,2′-Bipyridine-Based Dendritic Structured Compounds for Second Harmonic GenerationControlling Molecular Conductance: Switching Off π Sites through ProtonationDesigning organic spin filters in the coherent tunneling regime
P50
Q33265214-9751A93E-750D-4224-9DAF-8746488AE309Q37845681-4BE32E2C-720A-48F1-84F1-5549F1C87BE6Q42410685-F4EF6C5B-0215-4C6C-A370-4011F1571A47Q43019013-4F84FF58-419C-40E4-AE86-308C4842821DQ44868950-BB912B55-3955-4C3C-B6E0-6911C94BBBC9Q45049307-117D4996-9BCC-4013-BD28-13CC2A2FB189Q46602201-F5162FBE-F2E7-40AC-90D1-56E0A050CA04Q46791287-0204EA9D-4F42-4AA4-924F-2B16CA3D2003Q47595501-A4B2B4CF-23D4-4697-8F52-5B5C58E64CE3Q48169398-510D90DD-8F3B-4F4C-B751-6FB8919BAF45Q48185199-422A689F-611C-4580-BAE7-4C4C153A3FFFQ48247853-86F839F8-21B8-4C39-9DC8-0D10DF41082EQ48345871-C4C5B3FB-84A5-4550-AC64-5AD41F97A358Q48433391-E2C834B9-EB07-422F-AB6B-5412B134436DQ48665623-3A915D36-CD7F-4868-8765-873C4B0DA47EQ51583797-F2012819-B99F-4FA7-99FA-2013B287747AQ53063950-250B9545-F2D1-410A-80DC-129D648743D5Q57878818-7FBEC506-F5B7-47FB-B072-721D0145FB64Q57905393-DCF82736-F29F-466A-A4B8-C30C10312ED7Q57905408-C1D3A66B-EC33-477B-B675-2A54D205A145Q57905428-ABF250E6-D091-4494-8D06-5E550B2E32FBQ57905438-0EB52F85-158F-4519-B84B-451FC90F1622Q57905449-35EBFBF3-0324-4347-BBB0-3F96C1CF1800Q57905450-BC17EEF0-7E1C-4A2E-9BEC-D42480EBFBC1Q57905457-ECFF0634-59B7-4AE7-90A9-2D5555DAEC8BQ57905461-37F3438A-2874-496D-825D-09D97545203CQ57905465-9B2F78D8-E340-437C-B43D-D1C58EC69BD9Q57905473-4F80269A-EEFF-481E-8785-67AA3ECAA7AEQ57905484-A54AFF73-1E5C-48E3-9283-596D6E74C63CQ62067609-E151AB7F-0F1F-4F38-9D5C-314E9AE11F23Q62067610-08D90B57-158A-4395-9628-BACCF2B8053BQ62067612-BE3848C6-30BA-40F6-9458-46E0A07E8325Q62067614-4A6E58E3-F1B4-441D-867A-59D976D62671Q62067619-3C804E12-A7D0-46DC-BF3D-D792763FD7EFQ62067620-475EF39B-30AE-456E-9413-C9A96DD6AA60Q62067630-72C66C07-C2F8-41E6-A568-5034B36DC676Q62067632-0B5425D4-E650-487E-BD5A-ABEACC76FE21Q62067636-B307AB5F-2D13-4250-A3A0-19B1FC173C9DQ62067641-704AC72A-36D7-4864-A754-5A54F23A0D54Q62067645-B289E04B-4CAB-4409-BD48-B1597097F154
P50
description
hulumtuese
@sq
researcher
@en
ricercatrice
@it
wetenschapper
@nl
հետազոտող
@hy
name
Carmen Herrmann
@ast
Carmen Herrmann
@en
Carmen Herrmann
@es
Carmen Herrmann
@nl
Carmen Herrmann
@sl
type
label
Carmen Herrmann
@ast
Carmen Herrmann
@en
Carmen Herrmann
@es
Carmen Herrmann
@nl
Carmen Herrmann
@sl
prefLabel
Carmen Herrmann
@ast
Carmen Herrmann
@en
Carmen Herrmann
@es
Carmen Herrmann
@nl
Carmen Herrmann
@sl
P214
P1053
C-7716-2013
P106
P21
P214
P2456
P31
P3829
P496
0000-0002-9496-0664
P735
P7859
viaf-251341207