(Q45953088)

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Correlated hydrogen bonding fluctuations and vibrational cross peaks in N-methyl acetamide: simulation based on a complete electrostatic density functional theory map.

scientific article published in November 2006

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scholarly article

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Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/17129126

Correlated hydrogen bonding fluctuations and vibrational cross peaks in N-methyl acetamide: simulation based on a complete electrostatic density functional theory map. (English)

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/17129126

density functional theory

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based on heuristic

inferred from title

2

object named as

Shaul Mukamel

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Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/17129126

author name string

Tomoyuki Hayashi

1

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18 December 2017

http://europepmc.org/abstract/MED/17129126

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publication date

1 November 2006

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Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/17129126

Journal of Chemical Physics

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Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/17129126

125

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Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/17129126

19

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Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/17129126

194510

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Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/17129126

Myoglobin-CO Substate Structures and Dynamics: Multidimensional Vibrational Echoes and Molecular Dynamics Simulations

1 reference

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Structure of the Amide I Band of Peptides Measured by Femtosecond Nonlinear-Infrared Spectroscopy

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Two-dimensional infrared spectroscopy of antiparallel beta-sheet secondary structure

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Hydrogen-bonding dynamics between adjacent blades in G-protein beta-subunit regulates GIRK channel activation

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Dual-frequency 2D-IR spectroscopy heterodyned photon echo of the peptide bond

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21 January 2018

Empirical solvent correction for multiple amide group vibrational modes

1 reference

https://api.crossref.org/works/10.1063%2F1.2348865

21 January 2018

Electrostatic DFT map for the complete vibrational amide band of NMA.

1 reference

https://api.crossref.org/works/10.1063%2F1.2348865

21 January 2018

Collective solvent coordinates for the infrared spectrum of HOD in D2O based on an ab initio electrostatic map.

1 reference

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21 January 2018

Density-functional exchange-energy approximation with correct asymptotic behavior

1 reference

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21 January 2018

CHARMM fluctuating charge force field for proteins: II protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model.

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21 January 2018

Many-body approaches for simulating coherent nonlinear spectroscopies of electronic and vibrational excitons

1 reference

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21 January 2018

Two‐dimensional femtosecond vibrational spectroscopy of liquids

1 reference

https://api.crossref.org/works/10.1063%2F1.2348865

21 January 2018

The Anharmonic Vibrational Potential and Relaxation Pathways of the Amide I and II Modes ofN-Methylacetamide†

1 reference

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21 January 2018

Hydrogen-bond kinetics in liquid water

1 reference

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21 January 2018

Identifiers

10.1063/1.2348865

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/17129126

release_l6bhvzazgreftdsegrhktsygvm

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https://api.fatcat.wiki/v0/release/l6bhvzazgreftdsegrhktsygvm

24 November 2022

based on heuristic

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PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/17129126

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