Evaluation of MP2, DFT, and DFT-D methods for the prediction of infrared spectra of peptides.
about
Compact folding of isolated four-residue neutral peptide chains: H-bonding patterns and entropy effects.Improved Infrared Spectra Prediction by DFT from a New Experimental Database.Structure of sodiated octa-glycine: IRMPD spectroscopy and molecular modeling.Accuracy of density functionals in the description of dispersion interactions and IR spectra of phosphates and phosphorylated compounds.Structure of sodiated polyglycines.Isolated β-turn model systems investigated by combined IR/UV spectroscopy.Structural investigations on a linear isolated depsipeptide: the importance of dispersion interactions.Design of hybrid conjugates based on chemical similarityBinding motifs of silver in prion octarepeat model peptides: a joint ion mobility, IR and UV spectroscopies, and theoretical approach
P2860
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P2860
Evaluation of MP2, DFT, and DFT-D methods for the prediction of infrared spectra of peptides.
description
2009 nî lūn-bûn
@nan
2009 թուականի Յունիսին հրատարակուած գիտական յօդուած
@hyw
2009 թվականի հունիսին հրատարակված գիտական հոդված
@hy
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
name
Evaluation of MP2, DFT, and DF ...... infrared spectra of peptides.
@ast
Evaluation of MP2, DFT, and DF ...... infrared spectra of peptides.
@en
type
label
Evaluation of MP2, DFT, and DF ...... infrared spectra of peptides.
@ast
Evaluation of MP2, DFT, and DF ...... infrared spectra of peptides.
@en
prefLabel
Evaluation of MP2, DFT, and DF ...... infrared spectra of peptides.
@ast
Evaluation of MP2, DFT, and DF ...... infrared spectra of peptides.
@en
P356
P1476
Evaluation of MP2, DFT, and DF ...... f infrared spectra of peptides
@en
P2093
Charles Desfrançois
Yves Bouteiller
P304
P356
10.1021/JP901570R
P407
P577
2009-06-01T00:00:00Z