Anharmonicities and coherent vibrational dynamics of phosphate ions in bulk H2O.

No abstract is available for this paper.

• Publication year

  2015

• Venue

  Physical Chemistry, Chemical Physics - PCCP

• Publication date

  2015-11-05

• Fields of study

  Medicine, Physics, Chemistry

• Identifiers
  DOI 10.1039/c5cp04502aPMID 26488541
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Anharmonic Backbone Vibrations in Ultrafast Processes at the DNA-Water Interface.

  2015cited by this paper
• Ultrafast phosphate hydration dynamics in bulk H2O.

  2015cited by this paper
• Ultrafast vibrational spectroscopy (2D-IR) of CO2 in ionic liquids: Carbon capture from carbon dioxide's point of view.

  2015cited by this paper
• Microhydrated dihydrogen phosphate clusters probed by gas phase vibrational spectroscopy and first principles calculations.

  2015cited by this paper
• Structural Dynamics of Hydrated Phospholipid Surfaces Probed by Ultrafast 2D Spectroscopy of Phosphate Vibrations.

  2014cited by this paper
• Vibrational self-consistent field calculations for spectroscopy of biological molecules: new algorithmic developments and applications.

  2013cited by this paper
• Quantum process tomography quantifies coherence transfer dynamics in vibrational exciton.

  2013cited by this paper
• Biomolecular hydration dynamics: a jump model perspective.

  2013cited by this paper
• Dynamics of isolated water molecules in a sea of ions in a room temperature ionic liquid.

  2013cited by this paper
• Quantitative exploration of the molecular origin of the activation of GTPase

  2013cited by this paper
• Two-dimensional Raman-terahertz spectroscopy of water

  2013cited by this paper
• Site-specific coupling of hydration water and protein flexibility studied in solution with ultrafast 2D-IR spectroscopy.

  2012cited by this paper
• Azide-water intermolecular coupling measured by two-color two-dimensional infrared spectroscopy.

  2012cited by this paper
• Detailed structure of the H2PO4(-)-guanosine diphosphate intermediate in Ras-GAP decoded from FTIR experiments by biomolecular simulations.

  2012cited by this paper
• N-H stretching modes of adenosine monomer in solution studied by ultrafast nonlinear infrared spectroscopy and ab initio calculations.

  2012cited by this paper
• Vibrational dynamics of acetate in D2O studied by infrared pump-probe spectroscopy.

  2012cited by this paper
• Vibrational spectra of phosphate ions in aqueous solution probed by first-principles molecular dynamics.

  2012cited by this paper
• Femtosecond two-dimensional infrared spectroscopy of adenine-thymine base pairs in DNA oligomers.

  2011cited by this paper
• Concepts and Methods of 2D Infrared Spectroscopy

  2011cited by this paper
• Phosphate vibrations probe local electric fields and hydration in biomolecules.

  2011cited by this paper
• Convergence of vibrational angular momentum terms within the Watson Hamiltonian.

  2011cited by this paper
• Ultrafast energy migration pathways in self-assembled phospholipids interacting with confined water.

  2011cited by this paper
• Large Angular Jump Mechanism Observed for Hydrogen Bond Exchange in Aqueous Perchlorate Solution

  2010cited by this paper
• Ultrafast energy exchange via water-phosphate interactions in hydrated DNA.

  2010cited by this paper
• NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

  2010cited by this paper
• Hydrogen transfer and hydration properties of H(n)PO4(3-n) (n=0-3) in water studied by first principles molecular dynamics simulations.

  2009cited by this paper
• Coherent multidimensional optical spectroscopy of excitons in molecular aggregates; quasiparticle versus supermolecule perspectives.

  2009cited by this paper
• Applications of 2D IR spectroscopy to peptides, proteins, and hydrogen-bond dynamics.

  2009cited by this paper
• Toward large scale vibrational configuration interaction calculations.

  2009cited by this paper
• Dissimilar dynamics of coupled water vibrations.

  2009cited by this paper
• Amide I two-dimensional infrared spectroscopy of proteins.

  2008cited by this paper
• GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation.

  2008cited by this paper
• Coherence quantum beats in two-dimensional electronic spectroscopy.

  2008cited by this paper
• Multilevel vibrational coherence transfer and wavepacket dynamics probed with multidimensional IR spectroscopy.

  2008cited by this paper
• Structure and dynamics of phosphate ion in aqueous solution: An ab initio QMCF MD study

  2008cited by this paper
• A combined variational and perturbational study on the vibrational spectrum of P2F4

  2008cited by this paper
• Accurate calculation of anharmonic vibrational frequencies of medium sized molecules using local coupled cluster methods.

  2007cited by this paper
• Reorientional dynamics of water molecules in anionic hydration shells

  2007cited by this paper
• Ultrafast anisotropy dynamics of water molecules dissolved in acetonitrile.

  2007cited by this paper
• Multiple time scales in solvation dynamics of DNA in aqueous solution: the role of water, counterions, and cross-correlations.

  2006cited by this paper
• Ultrafast memory loss and energy redistribution in the hydrogen bond network of liquid H2O

  2005cited by this paper
• GROMACS: Fast, flexible, and free

  2005cited by this paper
• Crystallographic evidence for substrate-assisted GTP hydrolysis by a small GTP binding protein.

  2005cited by this paper
• Vibrational coherence transfer characterized with Fourier-transform 2D IR spectroscopy.

  2004cited by this paper
• IR Spectra of Phosphate Ions in Aqueous Solution: Predictions of a DFT/MM Approach Compared with Observations

  2004cited by this paper
• Dynamics of water probed with vibrational echo correlation spectroscopy.

  2004cited by this paper
• Coherent low-frequency motions of hydrogen bonded acetic acid dimers in the liquid phase.

  2004cited by this paper
• Combined electronic structure/molecular dynamics approach for ultrafast infrared spectroscopy of dilute HOD in liquid H2O and D2O.

  2004cited by this paper
• Efficient calculation of potential energy surfaces for the generation of vibrational wave functions.

  2004cited by this paper
• Inter and Intrastrand Vibrational Coupling in DNA Studied with Heterodyned 2D-IR Spectroscopy

  2003cited by this paper
• Flowing liquid sample jet for resonance Raman and ultrafast optical spectroscopy

  2003cited by this paper
• Development and current status of the CHARMM force field for nucleic acids

  2000cited by this paper
• The Protein Data Bank

  2000cited by this paper
• A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions

  2000cited by this paper
• Generation, shaping, and characterization of intense femtosecond pulses tunable from 3 to 20 µm

  2000cited by this paper
• Hydration of the phosphate group in double-helical DNA.

  1998cited by this paper
• Exciton-migration and three-pulse femtosecond optical spectroscopies of photosynthetic antenna complexes

  1998cited by this paper
• Polarized Raman spectroscopy of double-stranded RNA from bacteriophage phi6: local Raman tensors of base and backbone vibrations.

  1997cited by this paper
• Hydrogen Bonding of Water to Phosphatidylcholine in the Membrane As Studied by a Molecular Dynamics Simulation: Location, Geometry, and Lipid-Lipid Bridging via Hydrogen-Bonded Water

  1997cited by this paper
• Femtosecond photon echoes in molecular aggregates

  1997cited by this paper
• Polarized Raman spectra of oriented fibers of A DNA and B DNA: anisotropic and isotropic local Raman tensors of base and backbone vibrations.

  1995cited by this paper
• General atomic and molecular electronic structure system

  1993cited by this paper
• Decomposition of Normal-Coordinate Vibrational Frequencies

  1989cited by this paper
• Why nature chose phosphates.

  1987cited by this paper
• DNA conformation is determined by economics in the hydration of phosphate groups

  1986cited by this paper
• Molecular Structure of Nucleic Acids: A Structure for Deoxyribose Nucleic Acid

  1953cited by this paper
• Electronic Reprint Biological Crystallography the Protein Data Bank Biological Crystallography the Protein Data Bank

  year unknowncited by this paper

• Hydration structure and dynamics of phosphoric acid and its anions-Ultrafast 2D-IR spectroscopy and ab initio molecular dynamics simulations.

  2024cites this paper
• 2D-IR spectroscopy of proteins in H2O-A Perspective.

  2022cites this paper
• The mutual interactions of RNA, counterions and water – quantifying the electrostatics at the phosphate–water interface

  2021cites this paper
• Aqueous Contact Ion Pairs of Phosphate Groups with Na+, Ca2+ and Mg2+ – Structural Discrimination by Femtosecond Infrared Spectroscopy and Molecular Dynamics Simulations

  2020cites this paper
• NONCOVALENT INTERACTIONS OF HYDRATED DNA AND RNA MAPPED BY 2D-IR SPECTROSCOPY

  2019cites this paper
• Phosphate-Magnesium Ion Interactions in Water Probed by Ultrafast Two-Dimensional Infrared Spectroscopy.

  2019cites this paper
• Fermi resonance as a means to determine the hydrogen-bonding status of two infrared probes.

  2017cites this paper
• Ab Initio Molecular Dynamics Simulation of the Phosphate Ion in Water: Insights into Solvation Shell Structure, Dynamics, and Kosmotropic Activity.

  2017cites this paper
• Coherent Dynamics of Phosphate Ions in Bulk H 2 O

  2016cites this paper
• Long-Range Vibrational Dynamics Are Directed by Watson-Crick Base Pairing in Duplex DNA.

  2016cites this paper
• An Introduction to Coherent Multidimensional Spectroscopy

  2016cites this paper
• Interplay of Ion-Water and Water-Water Interactions within the Hydration Shells of Nitrate and Carbonate Directly Probed with 2D IR Spectroscopy.

  2016cites this paper
• Predominance of short range Coulomb forces in phosphate-water interactions—a theoretical analysis

  2016cites this paper