Time-dependent density functional response theory for electronic chiroptical properties of chiral molecules.
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Higginsianins A and B, Two Diterpenoid α-Pyrones Produced by Colletotrichum higginsianum, with in Vitro Cytostatic Activity.Alterporriol-type dimers from the mangrove endophytic fungus, Alternaria sp. (SK11), and their MptpB inhibitionsLarge-Scale Synthesis of Helicene-Like Molecules for the Design of Enantiopure Thin Films with Strong Chiroptical Activity.Conformational changes and chiroptical switching of enantiopure bis-helicenic terpyridine upon Zn(2+) binding.Conformational aspects in the studies of organic compounds by electronic circular dichroism.Good Computational Practice in the Assignment of Absolute Configurations by TDDFT Calculations of ECD Spectra.Chiral/ring closed vs. achiral/open chain triazine-based organogelators: induction and amplification of supramolecular chirality in organic gels.Control of the helical chirality of enantiopure sulfinyl (Z)-azobenzene-based photoswitches.Intermolecular exciton coupling and vibronic effects in solid-state circular dichroism: a case study.Computational ECD spectrum simulation of the phytotoxin scytalone: importance of solvent effects on conformer populations.Iron Alkynyl Helicenes: Redox-Triggered Chiroptical Tuning in the IR and Near-IR Spectral Regions and Suitable for Telecommunications Applications.Bromopyrrole Alkaloids with the Inhibitory Effects against the Biofilm Formation of Gram Negative Bacteria.Polyoxygenated cyathane diterpenoids from the mushroom Cyathus africanus, and their neurotrophic and anti-neuroinflammatory activities.Theoretical study on the effect of N-substitution on the electronic structures and photophysical properties of phosphorescent Ir(III) complexes.Time-dependent density functional theory for calculating origin-independent optical rotation and rotatory strength tensors.Secoscabronine M, a novel diterpenoid from the Chinese bitter mushroom Sarcodon scabrosus.On the Complementarity of ECD and VCD TechniquesAbsolute Configuration of Highly Flexible Natural Products by the Solid-State ECD/TDDFT Method: Ximaolides and SinulaparvalidesNew Anthracene Derivatives - Structure Elucidation and Antimicrobial ActivityAbsolute configuration of oplopanone derivatives from Serphidium stenocephalum: ECD spectra of acyclic ketones with front-octant contributions.Beyond optical rotation: what's left is not always right in total synthesis.Regiolone and Isosclerone, Two Enantiomeric Phytotoxic Naphthalenone Pentaketides: Computational Assignment of Absolute Configuration and Its Relationship with Phytotoxic ActivitySynthesis, Enzymatic Resolution, and Stereochemical Characterization of Isoparaconic Acid Derivatives: A Combined Experimental and Theoretical InvestigationSolid-state circular dichroism and hydrogen bonding: Absolute configuration of massarigenin A from Microsphaeropsis sp
P2860
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P2860
Time-dependent density functional response theory for electronic chiroptical properties of chiral molecules.
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on January 2011
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
Time-dependent density functio ...... roperties of chiral molecules.
@en
Time-dependent density functio ...... roperties of chiral molecules.
@nl
type
label
Time-dependent density functio ...... roperties of chiral molecules.
@en
Time-dependent density functio ...... roperties of chiral molecules.
@nl
prefLabel
Time-dependent density functio ...... roperties of chiral molecules.
@en
Time-dependent density functio ...... roperties of chiral molecules.
@nl
P356
P1476
Time-dependent density functio ...... roperties of chiral molecules.
@en
P2093
Lucia Nitsch-Velasquez
Mark Rudolph
P2888
P356
10.1007/128_2010_72
P577
2011-01-01T00:00:00Z