Direct calculations of vibrational absorption and circular dichroism spectra of alanine dipeptide analog in water: quantum mechanical/molecular mechanical molecular dynamics simulations.
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Assessment of amide I spectroscopic maps for a gas-phase peptide using IR-UV double-resonance spectroscopy and density functional theory calculationsAtomistic modeling of IR action spectra under circularly polarized electromagnetic fields: toward action VCD spectra.Comprehensive conformational studies of five tripeptides and a deduced method for efficient determinations of peptide structures.Car-Parrinello simulation of hydrogen bond dynamics in sodium hydrogen bissulfate.Instantaneous normal mode analysis of the vibrational relaxation of the amide I mode of alanine dipeptide in water.
P2860
Direct calculations of vibrational absorption and circular dichroism spectra of alanine dipeptide analog in water: quantum mechanical/molecular mechanical molecular dynamics simulations.
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2009 nî lūn-bûn
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2009年の論文
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2009年学术文章
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2009年学术文章
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2009年学术文章
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2009年学术文章
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2009年学术文章
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2009年學術文章
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name
Direct calculations of vibrati ...... olecular dynamics simulations.
@en
Direct calculations of vibrati ...... olecular dynamics simulations.
@nl
type
label
Direct calculations of vibrati ...... olecular dynamics simulations.
@en
Direct calculations of vibrati ...... olecular dynamics simulations.
@nl
prefLabel
Direct calculations of vibrati ...... olecular dynamics simulations.
@en
Direct calculations of vibrati ...... olecular dynamics simulations.
@nl
P2860
P356
P1476
Direct calculations of vibrati ...... molecular dynamics simulations
@en
P2093
Seongeun Yang
P2860
P304
P356
10.1063/1.3243078
P407
P50
P577
2009-10-01T00:00:00Z