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Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction
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journal
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June 2020 |
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Accurate correlation consistent basis sets for molecular core–valence correlation effects: The second row atoms Al–Ar, and the first row atoms B–Ne revisited
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journal
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December 2002 |
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Frequency-frequency correlation functions and apodization in two-dimensional infrared vibrational echo spectroscopy: A new approach
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journal
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September 2007 |
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Protein Dynamics in Cytochrome P450 Molecular Recognition and Substrate Specificity Using 2D IR Vibrational Echo Spectroscopy
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journal
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February 2011 |
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Modeling the A1 binding site in photosystem
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journal
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October 2006 |
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Two-dimensional infrared spectroscopy of peptides by phase-controlled femtosecond vibrational photon echoes
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journal
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July 2000 |
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Folding of a heterogeneous -hairpin peptide from temperature-jump 2D IR spectroscopy
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journal
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February 2013 |
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Signatures of vibrational interactions in coherent two-dimensional infrared spectroscopy
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journal
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May 2001 |
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Determining the Energetics of the Hydrogen Bond through FTIR: A Hands-On Physical Chemistry Lab Experiment
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journal
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April 2016 |
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Efficient exchange of the primary quinone acceptor QA in isolated reaction centers of Rhodopseudomonas viridis
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journal
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October 1997 |
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Picosecond dynamics of a membrane protein revealed by 2D IR
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journal
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February 2006 |
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Hydrogen-bond lifetime measured by time-resolved 2D-IR spectroscopy: N-methylacetamide in methanol
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journal
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May 2001 |
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Hydrogen Bonding and Vibrational Energy Relaxation in Water−Acetonitrile Mixtures †
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journal
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July 2004 |
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Development and testing of a general amber force field
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journal
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January 2004 |
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Two-dimensional IR-spectroscopy: polarization anisotropy effects
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journal
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May 2001 |
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Coherent 2D IR Spectroscopy: Molecular Structure and Dynamics in Solution
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journal
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July 2003 |
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Contributions of the Protein Environment to the Midpoint Potentials of the A 1 Phylloquinones and the F X Iron−Sulfur Cluster in Photosystem I †
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journal
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September 2007 |
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Orientational correlation functions and polarization selectivity for nonlinear spectroscopy of isotropic media. I. Third order
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journal
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July 1996 |
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Instantaneous ion configurations in the K + ion channel selectivity filter revealed by 2D IR spectroscopy
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journal
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September 2016 |
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Vibrational Anharmonicities Revealed by Coherent Two-Dimensional Infrared Spectroscopy
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journal
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March 2001 |
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General noise suppression scheme with reference detection in heterodyne nonlinear spectroscopy
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journal
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January 2017 |
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The Binding of Cofactors to Photosystem I Analyzed by Spectroscopic and Mutagenic Methods
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journal
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June 2003 |
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Coordination to lanthanide ions distorts binding site conformation in calmodulin
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journal
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March 2018 |
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How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?
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journal
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January 2000 |
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Vibrational dynamics of the CO stretching of 9-fluorenone studied by visible-pump and infrared-probe spectroscopy
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journal
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January 2015 |
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Water Dynamics: Vibrational Echo Correlation Spectroscopy and Comparison to Molecular Dynamics Simulations
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journal
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February 2004 |
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Peptide conformational heterogeneity revealed from nonlinear vibrational spectroscopy and molecular-dynamics simulations
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journal
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October 2002 |
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GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
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journal
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February 2008 |
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Asymmetric Hydrogen-Bonding of the Quinone Cofactor in Photosystem I Probed by 13 C-Labeled Naphthoquinones †
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journal
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July 2004 |
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Canonical sampling through velocity rescaling
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journal
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January 2007 |
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GROMACS: A message-passing parallel molecular dynamics implementation
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journal
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September 1995 |
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Binding sites of quinones in photosynthetic bacterial reaction centers investigated by light-induced FTIR difference spectroscopy: Binding of chainless symmetrical quinones to the QA site of Rhodobacter sphaeroides.
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journal
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October 1994 |
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Protein–cofactor interactions in bioenergetic complexes: The role of the A1A and A1B phylloquinones in Photosystem I
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journal
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September 2009 |
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GROMACS: Fast, flexible, and free
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journal
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January 2005 |
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Three-dimensional structure of cyanobacterial photosystem I at 2.5 Å resolution
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journal
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June 2001 |
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Dynamics of a Room Temperature Ionic Liquid in Supported Ionic Liquid Membranes vs the Bulk Liquid: 2D IR and Polarized IR Pump–Probe Experiments
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journal
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December 2016 |
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ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB
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journal
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July 2015 |
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Vibrational Dynamics of Hydrogen-Bonded Complexes in Solutions Studied with Ultrafast Infrared Pump−Probe Spectroscopy
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journal
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July 2009 |
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Coupling and orientation between anharmonic vibrations characterized with two-dimensional infrared vibrational echo spectroscopy
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journal
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December 2001 |
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Vibrational Couplings in Hydridocarbonyl Complexes: A 2D-IR Perspective
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journal
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May 2020 |
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Effect of Hydrogen Bond Strength on the Redox Properties of Phylloquinones: A Two-Dimensional Hyperfine Sublevel Correlation Spectroscopy Study of Photosystem I
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journal
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May 2011 |
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Characterizing Anharmonic Vibrational Modes of Quinones with Two-Dimensional Infrared Spectroscopy
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journal
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September 2014 |
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The ONIOM Method and Its Applications
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journal
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April 2015 |
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Hydrogen bond dynamics in bulk alcohols
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journal
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May 2015 |
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A smooth particle mesh Ewald method
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journal
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November 1995 |
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Dynamics underlying hydroxylation selectivity of cytochrome P450cam
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journal
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March 2021 |
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Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I
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journal
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November 2021 |
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Introduction of a Hydrogen Bond between Phylloquinone PhQ A and a Threonine Side-Chain OH Group in Photosystem I
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journal
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November 2012 |
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Dissecting Enthalpic and Entropic Barriers to Ultrafast Equilibrium Isomerization of a Flexible Molecule Using 2DIR Chemical Exchange Spectroscopy
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journal
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May 2009 |
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Transparent window 2D IR spectroscopy of proteins
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journal
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July 2021 |
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Quinones in the A1 binding site in photosystem I studied using time-resolved FTIR difference spectroscopy
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journal
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September 2017 |
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Electron transfer and arrangement of the redox cofactors in photosystem I
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journal
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February 1997 |
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Theoretical and Experimental Studies on Vibrational Energy Relaxation of the CO Stretching Mode of Acetone in Alcohol Solutions
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journal
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January 2013 |
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Ab initio study of solvated molecules: a new implementation of the polarizable continuum model
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journal
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June 1996 |
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Vibrational Energy Dynamics of Hydrogen-Bonded Pyrrole Complexes
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journal
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July 1995 |
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Measuring Electric Fields and Noncovalent Interactions Using the Vibrational Stark Effect
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journal
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March 2015 |
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Vibrational spectroscopy of photosystem I
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journal
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January 2015 |
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Structure of photosystem I
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journal
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October 2001 |
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How to turn your pump–probe instrument into a multidimensional spectrometer: 2D IR and Vis spectroscopiesvia pulse shaping
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journal
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January 2009 |
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Time-Resolved FTIR Difference Spectroscopy in Combination with Specific Isotope Labeling for the Study of A1, the Secondary Electron Acceptor in Photosystem 1
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journal
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June 2008 |
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Concepts and Methods of 2D Infrared Spectroscopy
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book
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January 2011 |
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Probing Ligand Effects on the Ultrafast Dynamics of Copper Complexes via Midinfrared Pump–Probe and 2DIR Spectroscopies
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journal
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November 2021 |
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The Vibrational Spectrum of the Secondary Electron Acceptor, A1, in Photosystem I
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journal
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February 2008 |
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Peak shapes in femtosecond 2D correlation spectroscopy
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journal
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May 2001 |
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Exploring the Electron Transfer Pathways in Photosystem I by High-Time-Resolution Electron Paramagnetic Resonance: Observation of the B-Side Radical Pair P 700 + A 1B – in Whole Cells of the Deuterated Green Alga Chlamydomonas reinhardtii at Cryogenic Temperatures
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journal
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March 2012 |
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Evidence that histidine forms a coordination bond to the A0A and A0B chlorophylls and a second H-bond to the A1A and A1B phylloquinones in M688HPsaA and M668HPsaB variants of Synechocystis sp. PCC 6803
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journal
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August 2014 |
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Watching Proteins Wiggle: Mapping Structures with Two-Dimensional Infrared Spectroscopy
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journal
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January 2017 |
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Two-Dimensional Infrared Spectroscopy of Antiparallel β-Sheet Secondary Structure
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journal
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June 2004 |
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Tidal surge in the M2 proton channel, sensed by 2D IR spectroscopy
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journal
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March 2011 |
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An improved generalized AMBER force field (GAFF) for urea
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journal
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February 2010 |
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Ability of the PM3 quantum-mechanical method to modelintermolecular hydrogen bonding between neutral molecules
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journal
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January 1993 |
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Chemical Equilibrium Probed by Two-Dimensional IR Spectroscopy: Hydrogen Bond Dynamics of Methyl Acetate in Water
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journal
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September 2009 |
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Site-Specific Coupling of Hydration Water and Protein Flexibility Studied in Solution with Ultrafast 2D-IR Spectroscopy
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journal
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November 2012 |
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Coherent Two-Dimensional Optical Spectroscopy
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journal
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April 2008 |
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Watching solvent friction impede ultrafast barrier crossings: A direct test of Kramers theory
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journal
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November 2010 |
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Measuring Electrostatic Fields in Both Hydrogen-Bonding and Non-Hydrogen-Bonding Environments Using Carbonyl Vibrational Probes
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journal
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July 2013 |