about
Aborted double bicycle-pedal isomerization with hydrogen bond breaking is the primary event of bacteriorhodopsin proton pumpingbeta-Pseudopeptide foldamers. The homo-oligomers of (4R)-(2-oxo-1,3-oxazolidin-4-yl)-acetic acid (D-Oxac).Development and conformational analysis of a pseudoproline-containing turn mimic.The retinal chromophore/chloride ion pair: structure of the photoisomerization path and interplay of charge transfer and covalent states.Modelling time-resolved two-dimensional electronic spectroscopy of the primary photoisomerization event in rhodopsin.Tracking conformational dynamics of polypeptides by nonlinear electronic spectroscopy of aromatic residues: a first-principles simulation studyThe catalytic activity of proline racemase: a quantum mechanical/molecular mechanical study.Disentangling Peptide Configurations via Two-Dimensional Electronic Spectroscopy: Ab Initio Simulations Beyond the Frenkel Exciton HamiltonianModeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy.Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate.Tracking the primary photoconversion events in rhodopsins by ultrafast optical spectroscopy.Resolving Ultrafast Photoinduced Deactivations in Water-Solvated Pyrimidine Nucleosides.Spectroscopic Properties of Formaldehyde in Aqueous Solution: Insights from Car-Parrinello and TDDFT/CASPT2 Calculations.Two-Dimensional Electronic Spectroscopy of Benzene, Phenol, and Their Dimer: An Efficient First-Principles Simulation Protocol.Excited state evolution of DNA stacked adenines resolved at the CASPT2//CASSCF/Amber level: from the bright to the excimer state and back.Conical intersection dynamics of the primary photoisomerization event in vision.Adenine deactivation in DNA resolved at the CASPT2//CASSCF/ AMBER level.Probing and modeling the absorption of retinal protein chromophores in vacuo.Deciphering low energy deactivation channels in adenine.Reaction path analysis of the "tunable" photoisomerization selectivity of free and locked retinal chromophores.Pseudopeptide foldamers: the homo-oligomers of pyroglutamic acid.Cyclooctatetraene computational photo- and thermal chemistry: a reactivity model for conjugated hydrocarbons.A simple approach for improving the hybrid MMVB force field: application to the photoisomerization of s-cis butadiene.Excited-state singlet manifold and oscillatory features of a nonatetraeniminium retinal chromophore model.On the mechanism of the cis-trans isomerization in the lowest electronic states of azobenzene: S0, S1, and T1.Structure of the intersection space associated with ZIE photoisomerization of retinal in rhodopsin proteins.Can simple enones be useful partners for the catalytic stereoselective alkylation of indoles?Counterion controlled photoisomerization of retinal chromophore models: a computational investigation.Photoisomerization mechanism of 11-cis-locked artificial retinal chromophores: acceleration and primary photoproduct assignment.Iridium cyclometalated complexes with axial symmetry: time-dependent density functional theory investigation of trans-bis-cyclometalated complexes containing the tridentate ligand 2,6-diphenylpyridine.Electrostatic control of the photoisomerization efficiency and optical properties in visual pigments: on the role of counterion quenching.A Quantum Chemical Interpretation of Two-Dimensional Electronic Spectroscopy of Light-Harvesting Complexes.Multistate photo-induced relaxation and photoisomerization ability of fumaramide threads: a computational and experimental study.Modeling the photophysics and photochromic potential of 1,2-dihydronaphthalene (DHN): a combined CASPT2//CASSCF-topological and MMVB-dynamical investigation.Solvent effects on the vibrational activity and photodynamics of the green fluorescent protein chromophore: a quantum-chemical study.Triplet pathways in diarylethene photochromism: photophysical and computational study of dyads containing ruthenium(II) polypyridine and 1,2-bis(2-methylbenzothiophene-3-yl)maleimide units.The different photoisomerization efficiency of azobenzene in the lowest n pi* and pi pi* singlets: the role of a phantom state.The effect of solvent relaxation in the ultrafast time-resolved spectroscopy of solvated benzophenone.Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates.Semiclassical Path Integral Calculation of Nonlinear Optical Spectroscopy.
P50
Q30497552-31799230-0552-400C-BDCB-803E2E5CA42FQ30948840-29EDAB4D-ED9A-4DAD-8DB7-4A23A80C027FQ31133641-9EB63E4C-BC41-4D26-B8CB-15EA65D9E3E9Q33772016-AE32507E-B3AF-4B8B-986D-DF0BD8B69DC3Q34435583-26F47109-C920-40E7-BB41-DAB0AA249173Q34610111-621E4E7C-45CE-43D7-AE62-2D3D8BBEE12DQ34719201-711D9FB5-7233-4230-8CE7-A8AAFBD5ECFAQ35164254-2D05BB7C-6CFB-4E91-B0AF-5FD8F8381160Q35655354-DF5D79EB-8C2B-4D8A-B0D8-73B3CE7F130EQ37252490-12F408EE-095D-485C-A455-EEA27D869137Q38272081-39565C9A-4407-4850-B374-9D7CA01CF210Q38873660-5F728575-B0C9-4C2E-BF99-7AFADA7D89DCQ40263691-539C92E3-70DE-491A-B7D9-394619BBABB0Q40315481-C26110CE-3738-4175-B461-4B9A0D6BBA08Q41391274-6742D4AD-4F6A-4A37-A555-CEF08812571EQ42877841-57A24453-15B5-4357-AEB5-1B6CBF7FBEF2Q43089430-C1504B16-F4EF-4176-A849-A1B32DE12915Q43183139-4D8CFAC0-414A-4B2A-8301-A77206054609Q43257644-5CE6EED2-BEBF-4847-9786-74184FEAFD02Q43953554-56D8DC49-BF2E-4641-AECE-2A4AAC777A3FQ44103233-04BA86F8-7A1A-46AA-9263-EE4FA423AF6FQ44215954-AFB6E96D-6F06-49EF-92D2-62A4175B3AD3Q44492275-FF8F6384-454A-4085-B597-45010A3D3EEDQ44609706-E664E01D-33A6-4CC9-B1A1-36937D56756DQ44793866-377DED70-F2D4-4494-A3D0-AC7130DB5171Q45095623-E3F22431-D247-4E72-8AD8-68FF7461D170Q45118323-D95C9F93-BE2C-488B-87F2-9CCFB4936459Q45177626-C05FF592-2155-4DA3-AE3C-5C46937738B9Q45277958-AD0BAF01-8522-4BDB-94B1-C6D18EBE4DB2Q45283683-08C59A80-8CC8-4371-8654-A7F79E20CB3EQ46077375-6E141567-A804-45D5-A02F-5D3801092041Q46161667-DBE2C683-0CCA-4FDF-B880-0601DE74423CQ46203644-01FFF8E7-3A14-43F1-B9CE-2203DFDA124CQ46374174-89CE4A3E-F632-49C6-B2D8-017784FD817FQ46383423-AC8F56DD-D971-4536-80E3-F05AF37A6501Q46596649-44F9DBFF-3926-4409-A54F-21CD6B149303Q46706220-0E634079-98AD-4CBD-818B-A265C7169B9BQ47695068-5A98FEF0-5B7C-42EF-8E01-869D2A3A860EQ47705479-B7F892E5-06BD-4780-9478-394891018363Q47779820-F3BF6DCC-DBD3-4F3C-A1FD-53E00A87B7B3
P50
description
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Marco Garavelli
@ast
Marco Garavelli
@en
Marco Garavelli
@es
Marco Garavelli
@nl
type
label
Marco Garavelli
@ast
Marco Garavelli
@en
Marco Garavelli
@es
Marco Garavelli
@nl
prefLabel
Marco Garavelli
@ast
Marco Garavelli
@en
Marco Garavelli
@es
Marco Garavelli
@nl
P106
P21
P31
P496
0000-0002-0796-289X