scholarly article | Q13442814 |
P356 | DOI | 10.1039/C3CP55428G |
P8608 | Fatcat ID | release_ta5kj7ororaqnjckda24lzkfoy |
P698 | PubMed publication ID | 24603889 |
P50 | author | Benedetta Mennucci | Q21255512 |
Lorenzo Di Bari | Q42854785 | ||
Gennaro Pescitelli | Q42854793 | ||
P2093 | author name string | Sandro Jurinovich | |
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Accurate simulation of optical properties in dyes | Q38452510 | ||
Racemization barriers of 1,1'-binaphthyl and 1,1'-binaphthalene-2,2'-diol: a DFT study. | Q42161997 | ||
[Ln(binolam)3]·(OTf)3, a new class of propeller-shaped lanthanide(III) salt complexes as enantioselective catalysts: structure, dynamics and mechanistic insight. | Q42854686 | ||
Theoretical analysis of the porphyrin-porphyrin exciton interaction in circular dichroism spectra of dimeric tetraarylporphyrins | Q44481792 | ||
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Theoretical spectroscopy of astaxanthin in crustacyanin proteins: absorption, circular dichroism, and nuclear magnetic resonance. | Q50280202 | ||
Experimental and theoretical study of the CD spectra and conformational properties of axially chiral 2,2'-, 3,3'-, and 4,4'-biphenol ethers. | Q51014414 | ||
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Toward a Unified Modeling of Environment and Bridge-Mediated Contributions to Electronic Energy Transfer: A Fully Polarizable QM/MM/PCM Approach | Q57278592 | ||
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Basic character of rare earth metal alkoxides. Utilization in catalytic carbon-carbon bond-forming reactions and catalytic asymmetric nitroaldol reactions | Q57635601 | ||
P433 | issue | 31 | |
P407 | language of work or name | English | Q1860 |
P304 | page(s) | 16407-16418 | |
P577 | publication date | 2014-08-01 | |
P1433 | published in | Physical Chemistry Chemical Physics | Q3018671 |
P1476 | title | A TDDFT/MMPol/PCM model for the simulation of exciton-coupled circular dichroism spectra | |
P478 | volume | 16 |
Q57278551 | A fast but accurate excitonic simulation of the electronic circular dichroism of nucleic acids: how can it be achieved? |
Q48277292 | EXAT: EXcitonic analysis tool. |
Q46694411 | Optical Activity in the Near-IR Region: The λ=980 nm Multiplet of Chiral Yb(3+) Complexes. |
Q39325321 | Simulation of Electronic Circular Dichroism of Nucleic Acids: From the Structure to the Spectrum |
Q52318555 | Steady-State Linear and Non-linear Optical Spectroscopy of Organic Chromophores and Bio-macromolecules. |
Q57278580 | The Fenna-Matthews-Olson Protein Revisited: A Fully Polarizable (TD)DFT/MM Description |
Q57278571 | The role of magnetic–electric coupling in exciton-coupled ECD spectra: the case of bis-phenanthrenes |
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