Optimized quantum mechanics/molecular mechanics strategies for nitrile vibrational probes: acetonitrile and para-tolunitrile in water and tetrahydrofuran.

Optimized quantum mechanics/molecular mechanics strategies for nitrile vibrational probes: acetonitrile and para-tolunitrile in water and tetrahydrofuran.

Item
http://www.wikidata.org/entity/Q30372583
Electrostatic Fields near the Active Site of Human Aldose Reductase: 2. New Inhibitors and Complications Caused by Hydrogen BondsComputational Modeling of the Nitrile Stretching Vibration of 5-Cyanoindole in Water.Site-Specific Spectroscopic Reporters of the Local Electric Field, Hydration, Structure, and Dynamics of Biomolecules.5-Cyanotryptophan as an Infrared Probe of Local Hydration Status of Proteins.Catalytic efficiency of enzymes: a theoretical analysisSelective incorporation of nitrile-based infrared probes into proteins via cysteine alkylationCalculation of vibrational shifts of nitrile probes in the active site of ketosteroid isomerase upon ligand binding.A direct comparison of azide and nitrile vibrational probes2D IR photon echo spectroscopy reveals hydrogen bond dynamics of aromatic nitriles.Calculation of the Vibrational Stark Effect Using a First-Principles QM/MM Approach.Vibrational solvatochromism: towards systematic approach to modeling solvation phenomena.Carbon-deuterium vibrational probes of peptide conformation: alanine dipeptide and glycine dipeptide.Water-anion hydrogen bonding dynamics: Ultrafast IR experiments and simulations.Car-Parrinello simulation of hydrogen bond dynamics in sodium hydrogen bissulfate.Computational IR spectroscopy of water: OH stretch frequencies, transition dipoles, and intermolecular vibrational coupling constants.Cyanylated Cysteine Reports Site-Specific Changes at Protein-Protein-Binding Interfaces Without Perturbation.Probe of Alcohol Structures in the Gas and Liquid States Using C⁻H Stretching Raman Spectroscopy
P2860

Optimized quantum mechanics/molecular mechanics strategies for nitrile vibrational probes: acetonitrile and para-tolunitrile in water and tetrahydrofuran.

Item
http://www.wikidata.org/entity/Q30372583
description
2008 nî lūn-bûn
@nan
2008 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2008 թվականի հոտեմբերին հրատարակված գիտական հոդված
@hy
2008年の論文
@ja
2008年論文
@yue
2008年論文
@zh-hant
2008年論文
@zh-hk
2008年論文
@zh-mo
2008年論文
@zh-tw
2008年论文
@wuu
name
Optimized quantum mechanics/mo ...... in water and tetrahydrofuran.
@ast
Optimized quantum mechanics/mo ...... in water and tetrahydrofuran.
@en
type
label
Optimized quantum mechanics/mo ...... in water and tetrahydrofuran.
@ast
Optimized quantum mechanics/mo ...... in water and tetrahydrofuran.
@en
prefLabel
Optimized quantum mechanics/mo ...... in water and tetrahydrofuran.
@ast
Optimized quantum mechanics/mo ...... in water and tetrahydrofuran.
@en
P1433
P1476
P2093
P304
P31
P356
P407
P433
P478
P577
P698
P356
P1433
P1476
Optimized quantum mechanics/mo ...... in water and tetrahydrofuran.
@en
P2093
P304
P31
P356
P407
P433
P478
P577
P698