Hynes, James T
Publication with MATCHING institution:
- Olivieri JF, Laage D, Hynes JT (2021) A Model Electron Transfer Reaction in Confined Aqueous Solution. ChemPhysChem.
[IF=0.755, Cited=0, 34427964].
- Tuñón I, Laage D, Hynes JT (2015) Are there dynamical effects in enzyme catalysis? Some thoughts concerning the
enzymatic chemical step. Archives of Biochemistry and Biophysics. [IF=0.874, Cited=15, 26087289].
- Laage D, Elsaesser T, Hynes JT (2017) Water Dynamics in the Hydration Shells of Biomolecules. Chemical Reviews.
[IF=11.712, Cited=169, 28248491].
- Rey R, Hynes JT (2020) Solvation Dynamics in Water. 4. On the Initial Regime of Solvation Relaxation. Journal of
Physical Chemistry B. [IF=0.893, Cited=1, 32790403].
- Kiefer PM, Daschakraborty S, Pines D, ..., Hynes JT (2021) Electron Flow Characterization of Charge Transfer for
Carbonic Acid to Strong Base Proton Transfer in Aqueous Solution. Journal of Physical Chemistry B. [IF=0.893, Cited=0, 34623157].
- Petersen J, Møller KB, Hynes JT, Rey R (2021) Ultrafast Rotational and Translational Energy Relaxation in Neat Liquids.
Journal of Physical Chemistry B. [IF=0.893, Cited=0, 34762424].
- Pines D, Ditkovich J, Mukra T, ..., Pines E (2016) How Acidic Is Carbonic Acid? Journal of Physical Chemistry B.
[IF=0.893, Cited=16, 26862781].
- Daschakraborty S, Kiefer PM, Miller Y, ..., Hynes JT (2016) Reaction Mechanism for Direct Proton Transfer from Carbonic
Acid to a Strong Base in Aqueous Solution I: Acid and Base Coordinate and Charge Dynamics. Journal of Physical Chemistry
B. [IF=0.893, Cited=9, 26879554].
- Daschakraborty S, Kiefer PM, Miller Y, ..., Hynes JT (2016) Reaction Mechanism for Direct Proton Transfer from Carbonic
Acid to a Strong Base in Aqueous Solution II: Solvent Coordinate-Dependent Reaction Path. Journal of Physical Chemistry
B. [IF=0.893, Cited=3, 26876428].
- Rey R, Hynes JT (2016) Solvation Dynamics in Water: 2. Energy Fluxes on Excited- and Ground-State Surfaces. Journal of
Physical Chemistry B. [IF=0.893, Cited=1, 27740771].
- Rey R, Hynes JT (2017) Solvation Dynamics in Liquid Water. III. Energy Fluxes and Structural Changes. Journal of
Physical Chemistry B. [IF=0.893, Cited=1, 28095693].
- Alherz A, Lim CH, Hynes JT, Musgrave CB (2018) Predicting Hydride Donor Strength via Quantum Chemical Calculations of
Hydride Transfer Activation Free Energy. Journal of Physical Chemistry B. [IF=0.893, Cited=6, 29251933].
- Hridya VM, Hynes JT, Mukherjee A (2019) Dynamical Recrossing in the Intercalation Process of the Anticancer Agent
Proflavine into DNA. Journal of Physical Chemistry B. [IF=0.893, Cited=3, 31671261].
- Olivieri JF, Hynes JT, Laage D (2021) Confined Water's Dielectric Constant Reduction Is Due to the Surrounding Low
Dielectric Media and Not to Interfacial Molecular Ordering. Journal of Physical Chemistry Letters. [IF=1.158, Cited=16, 33914550].
- Wilkins DM, Manolopoulos DE, Pipolo S, ..., Hynes JT (2017) Nuclear Quantum Effects in Water Reorientation and Hydrogen-
Bond Dynamics. Journal of Physical Chemistry Letters. [IF=1.158, Cited=13, 28530836].
- Zhang Y, de Aguiar HB, Hynes JT, Laage D (2020) Water Structure, Dynamics, and Sum-Frequency Generation Spectra at
Electrified Graphene Interfaces. Journal of Physical Chemistry Letters. [IF=1.158, Cited=11, 31899643].
- Bianco R, Hynes JT (2006) Heterogeneous reactions important in atmospheric ozone depletion: a theoretical perspective.
Accounts of Chemical Research. [IF=3.533, Cited=18, 16489736].
- Laage D, Stirnemann G, Sterpone F, Hynes JT (2011) Water jump reorientation: from theoretical prediction to experimental
observation. Accounts of Chemical Research. [IF=3.533, Cited=31, 21749157].
- Rey R, Møller KB, Hynes JT (2004) Ultrafast vibrational population dynamics of water and related systems: a theoretical
perspective. Chemical Reviews. [IF=11.712, Cited=46, 15080716].
- Roca M, Moliner V, Tuñón I, Hynes JT (2006) Coupling between protein and reaction dynamics in enzymatic processes:
application of Grote-Hynes Theory to catechol O-methyltransferase. Journal of the American Chemical Society. [IF=2.573,
Cited=31, 16669689].
- Wilhelm M, Mukherjee A, Bouvier B, ..., Lavery R (2012) Multistep drug intercalation: molecular dynamics and free energy
studies of the binding of daunomycin to DNA. Journal of the American Chemical Society. [IF=2.573, Cited=35, 22548344].
- Mukherjee A, Lavery R, Bagchi B, Hynes JT (2008) On the molecular mechanism of drug intercalation into DNA: a simulation
study of the intercalation pathway, free energy, and DNA structural changes. Journal of the American Chemical Society.
[IF=2.573, Cited=56, 18611009].
- Ruiz-Pernía JJ, Tuñón I, Moliner V, ..., Roca M (2008) Dynamic effects on reaction rates in a Michael addition catalyzed
by chalcone isomerase. Beyond the frozen environment approach. Journal of the American Chemical Society. [IF=2.573,
Cited=32, 18479090].
- Duboué-Dijon E, Fogarty AC, Hynes JT, Laage D (2016) Dynamical Disorder in the DNA Hydration Shell. Journal of the
American Chemical Society. [IF=2.573, Cited=42, 27240107].
- Lim CH, Ilic S, Alherz A, ..., Musgrave CB (2018) Benzimidazoles as Metal-Free and Recyclable Hydrides for
CO2 Reduction to Formate. Journal of the American Chemical Society. [IF=2.573, Cited=11, 30477302].
- Koch DM, Timerghazin QK, Peslherbe GH, ..., Hynes JT (2006) Nonadiabatic trajectory studies of NaI(H2O)n
photodissociation dynamics. Journal of Physical Chemistry A. [IF=0.841, Cited=3, 16435804].
- Bianco R, Wang S, Hynes JT (2005) Theoretical study of the first acid dissociation of H2SO4 at a model aqueous surface.
Journal of Physical Chemistry B. [IF=0.893, Cited=6, 16853764].
- Burghardt I, Hynes JT (2006) Excited-state charge transfer at a conical intersection: effects of an environment. Journal
of Physical Chemistry A. [IF=0.841, Cited=29, 17020251].
- Jana B, Pal S, Maiti PK, ..., Bagchi B (2006) Entropy of water in the hydration layer of major and minor grooves of DNA.
Journal of Physical Chemistry B. [IF=0.893, Cited=30, 17004828].
- Nigro B, Re S, Laage D, ..., Hynes JT (2006) On the ultrafast infrared spectroscopy of anion hydration shell hydrogen
bond dynamics. Journal of Physical Chemistry A. [IF=0.841, Cited=24, 17004732].
- Pal S, Maiti PK, Bagchi B, Hynes JT (2006) Multiple time scales in solvation dynamics of DNA in aqueous solution: the
role of water, counterions, and cross-correlations. Journal of Physical Chemistry B. [IF=0.893, Cited=24, 17181299].
- Bianco R, Wang S, Hynes JT (2007) Theoretical study of the dissociation of nitric acid at a model aqueous surface.
Journal of Physical Chemistry A. [IF=0.841, Cited=11, 17918815].
- Ramesh SG, Re S, Hynes JT (2008) Charge transfer and OH vibrational frequency red shifts in nitrate-water clusters.
Journal of Physical Chemistry A. [IF=0.841, Cited=16, 18351755].
- Malhado JP, Spezia R, Hynes JT (2010) Dynamical friction effects on the photoisomerization of a model protonated Schiff
base in solution. Journal of Physical Chemistry A. [IF=0.841, Cited=14, 20932049].
- Bianco R, Hay PJ, Hynes JT (2011) Theoretical study of O--O single bond formation in the oxidation of water by the
ruthenium blue dimer. Journal of Physical Chemistry A. [IF=0.841, Cited=13, 21615127].
- Petersen J, Møller KB, Rey R, Hynes JT (2012) Ultrafast librational relaxation of H2O in liquid water. Journal of
Physical Chemistry B. [IF=0.893, Cited=11, 23131075].
- Xu X, Ge H, Gu C, ..., Cao J (2013) Modeling spatial correlation of DNA deformation: DNA allostery in protein binding.
Journal of Physical Chemistry B. [IF=0.893, Cited=8, 23795567].
- Bianco R, Hay PJ, Hynes JT (2013) Theoretical study of water oxidation by the ruthenium blue dimer. II. Proton relay
chain mechanism for the step [bpy2(HOO)Ru(IV)ORu(IV)(OH)bpy2]4+ → [bpy2(O2(–))Ru(IV)ORu(III)(OH2)bpy2]4+. Journal of
Physical Chemistry B. [IF=0.893, Cited=3, 23952641].
- Kiefer PM, Pines E, Pines D, Hynes JT (2014) Solvent-induced red-shifts for the proton stretch vibrational frequency in
a hydrogen-bonded complex. 1. A valence bond-based theoretical approach. Journal of Physical Chemistry B. [IF=0.893,
Cited=6, 24807301].
- Keinan S, Pines D, Kiefer PM, ..., Pines E (2014) Solvent-induced O-H vibration red-shifts of oxygen-acids in hydrogen-
bonded O-H···base complexes. Journal of Physical Chemistry B. [IF=0.893, Cited=3, 24975617].
- Pines D, Keinan S, Kiefer PM, ..., Pines E (2014) Effect of Solvent Dielectric Constant and Acidity on the OH Vibration
Frequency in Hydrogen-Bonded Complexes of Fluorinated Ethanols. Journal of Physical Chemistry B. [IF=0.893, Cited=5, 25420059].
- Rey R, Hynes JT (2015) Solvation Dynamics in Liquid Water. 1. Ultrafast Energy Fluxes. Journal of Physical Chemistry B.
[IF=0.893, Cited=6, 25635521].
- Laage D, Hynes JT (2008) On the residence time for water in a solute hydration shell: application to aqueous halide
solutions. Journal of Physical Chemistry B. [IF=0.893, Cited=46, 18510295].
- Bianco R, Wang S, Hynes JT (2008) Infrared signatures of HNO3 and NO3(-) at a model aqueous surface. A theoretical
study. Journal of Physical Chemistry A. [IF=0.841, Cited=9, 18714961].
- Laage D, Hynes JT (2008) On the molecular mechanism of water reorientation. Journal of Physical Chemistry B. [IF=0.893,
Cited=124, 18942871].
- Wang S, Bianco R, Hynes JT (2009) Depth-dependent dissociation of nitric acid at an aqueous surface: Car-Parrinello
molecular dynamics. Journal of Physical Chemistry A. [IF=0.841, Cited=8, 19173580].
- Laage D, Stirnemann G, Hynes JT (2009) Why water reorientation slows without iceberg formation around hydrophobic
solutes. Journal of Physical Chemistry B. [IF=0.893, Cited=117, 19193030].
- Ingrosso F, Rey R, Elsaesser T, Hynes JT (2009) Ultrafast energy transfer from the intramolecular bending vibration to
librations in liquid water. Journal of Physical Chemistry A. [IF=0.841, Cited=21, 19469516].
- Ramesh SG, Re S, Boisson J, Hynes JT (2010) Vibrational symmetry breaking of NO3- in aqueous solution: NO asymmetric
stretch frequency distribution and mean splitting. Journal of Physical Chemistry A. [IF=0.841, Cited=3, 19689153].
- Rey R, Ingrosso F, Elsaesser T, Hynes JT (2009) Pathways for H2O bend vibrational relaxation in liquid water. Journal of
Physical Chemistry A. [IF=0.841, Cited=27, 19719303].
- Stirnemann G, Hynes JT, Laage D (2010) Water hydrogen bond dynamics in aqueous solutions of amphiphiles. Journal of
Physical Chemistry B. [IF=0.893, Cited=30, 20141150].
- Sterpone F, Stirnemann G, Hynes JT, Laage D (2010) Water hydrogen-bond dynamics around amino acids: the key role of
hydrophilic hydrogen-bond acceptor groups. Journal of Physical Chemistry B. [IF=0.893, Cited=47, 20085364].
- Olivieri JF, Hynes JT, Laage D (2024) Water dynamics and sum-frequency generation spectra at electrode/aqueous
electrolyte interfaces. Faraday Discussions. [IF=0.75, Cited=0, 37791579].
- Møller KB, Rey R, Masia M, Hynes JT (2005) On the coupling between molecular diffusion and solvation shell exchange.
Journal of Chemical Physics. [IF=1.184, Cited=10, 15836230].
- Malhado JP, Hynes JT (2012) Photoisomerization for a model protonated Schiff base in solution: sloped/peaked conical
intersection perspective. Journal of Chemical Physics. [IF=1.184, Cited=9, 23249080].
- Malhado JP, Hynes JT (2016) Non-adiabatic transition probability dependence on conical intersection topography. Journal
of Chemical Physics. [IF=1.184, Cited=10, 27875884].
- Laage D, Elsaesser T, Hynes JT (2017) Perspective: Structure and ultrafast dynamics of biomolecular hydration shells.
Structural Dynamics. [IF=0.868, Cited=8, 28470026].
- Laage D, Hynes JT (2007) Reorientional dynamics of water molecules in anionic hydration shells. Proceedings of the
National Academy of Sciences of the United States of America. [IF=2.765, Cited=97, 17581877].
- Laage D, Hynes JT (2009) Echoes of a salty exchange. Proceedings of the National Academy of Sciences of the United
States of America. [IF=2.765, Cited=4, 19164540].
- Aminov D, Pines D, Kiefer PM, ..., Pines E (2019) Intact carbonic acid is a viable protonating agent for biological
bases. Proceedings of the National Academy of Sciences of the United States of America. [IF=2.765, Cited=1, 31570591].
- Laage D, Hynes JT (2006) A molecular jump mechanism of water reorientation. Science. [IF=7.729, Cited=340, 16439623].
- Hynes JT (2014) Molecules in motion: chemical reaction and allied dynamics in solution and elsewhere. Annual Review of
Physical Chemistry. [IF=3.733, Cited=5, 25293391].
- Laage D, Stirnemann G, Sterpone F, ..., Hynes JT (2011) Reorientation and allied dynamics in water and aqueous
solutions. Annual Review of Physical Chemistry. [IF=3.733, Cited=112, 21219140].
- Malhado JP, Bearpark MJ, Hynes JT (2014) Non-adiabatic dynamics close to conical intersections and the surface hopping
perspective. Frontiers in Chemistry. [IF=1.04, Cited=13, 25485263].
Publication with MISMATCHING institution:
- Lim CH, Holder AM, Hynes JT, Musgrave CB (2017) Dihydropteridine/Pteridine as a 2H+/2e- Redox
Mediator for the Reduction of CO2 to Methanol: A Computational Study. Journal of Physical Chemistry B.
[IF=0.893, Cited=2, 28375636].
- Alherz A, Lim CH, Kuo YC, ..., Musgrave CB (2018) Renewable Hydride Donors for the Catalytic Reduction of
CO2: A Thermodynamic and Kinetic Study. Journal of Physical Chemistry B. [IF=0.893, Cited=4, 30290115].
- Lim CH, Holder AM, Hynes JT, Musgrave CB (2015) Catalytic Reduction of CO2 by Renewable Organohydrides. Journal of
Physical Chemistry Letters. [IF=1.158, Cited=12, 26722706].
- Lim CH, Holder AM, Hynes JT, Musgrave CB (2013) Roles of the Lewis acid and base in the chemical reduction of CO2
catalyzed by frustrated Lewis pairs. Inorganic Chemistry. [IF=0.986, Cited=17, 23941178].
- Lim CH, Holder AM, Hynes JT, Musgrave CB (2014) Reduction of CO2 to methanol catalyzed by a biomimetic organo-hydride
produced from pyridine. Journal of the American Chemical Society. [IF=2.573, Cited=27, 25323134].
- Zhang Y, Stirnemann G, Hynes JT, Laage D (2020) Water dynamics at electrified graphene interfaces: a jump model
perspective. Physical Chemistry Chemical Physics. [IF=0.906, Cited=4, 32149294].
Publication with MISSING institution:
- Laage D, Burghardt I, Sommerfeld T, Hynes JT (2003) On the dissociation of aromatic radical anions in solution.
ChemPhysChem. [IF=0.755, Cited=16, 12596466].
- Tuñón I, Hynes JT (2010) A simple model for barrier frequencies for enzymatic reactions. ChemPhysChem. [IF=0.755,
Cited=1, 21226200].
- Sturm JT, Hynes JT, Perry JF (1990) Thoracic spinal fractures and aortic rupture: a significant and fatal association.
Annals of Thoracic Surgery. [IF=1.574, Cited=10, 2241385].
- Gertner BJ, Whitnell RM, Wilson KR, Hynes JT (1991) Activation to the transition state: reactant and solvent energy flow
for a model SN2 reaction in water. Journal of the American Chemical Society. [IF=2.573, Cited=25, 26185965].
- Hynes JT (2007) Physical chemistry: the peripatetic proton. Nature. [IF=11.591, Cited=11, 17361168].
- Burghardt I, Cederbaum LS, Hynes JT (2004) Environmental effects on a conical intersection: a model study. None.
[IF=None, Cited=27, 15471356].
- Stirnemann G, Rossky PJ, Hynes JT, Laage D (2010) Water reorientation, hydrogen-bond dynamics and 2D-IR spectroscopy
next to an extended hydrophobic surface. None. [IF=None, Cited=36, 21043427].
- Wang S, Bianco R, Hynes JT (2010) Dissociation of nitric acid at an aqueous surface: Large amplitude motions in the
contact ion pair to solvent-separated ion pair conversion. Physical Chemistry Chemical Physics. [IF=0.906, Cited=6, 20498901].
- Boisson J, Stirnemann G, Laage D, Hynes JT (2011) Water reorientation dynamics in the first hydration shells of F- and
I-. Physical Chemistry Chemical Physics. [IF=0.906, Cited=17, 21915404].
- Rey R, Hynes JT (2012) Tracking energy transfer from excited to accepting modes: application to water bend vibrational
relaxation. Physical Chemistry Chemical Physics. [IF=0.906, Cited=8, 22402668].
- Fogarty AC, Duboué-Dijon E, Sterpone F, ..., Laage D (2013) Biomolecular hydration dynamics: a jump model perspective.
Chemical Society Reviews. [IF=8.116, Cited=45, 23612685].
- Ando K, Hynes JT (1995) HF acid ionization in water: the first step. None. [IF=None, Cited=2, 9033237].