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Journal of Physical Chemistry A - Current Research Articles



Current research articles: Physical Chemistry

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On this page considered journals:



Journal of Physical Chemistry A - Editor: American Chemical Society, ACS

- Dynamics, Kinetics, Environmental Chemistry, Spectroscopy, Structure, Theory. The journal publishes studies on dynamics, clusters, and excited states; kinetics, and spectroscopy; atmospheric, environmental, and green chemistry; and molecular structure, quantum chemistry, and general theory.




Current articles of the journal:



Density Functional Theory Study of Semiquinone Radical Anions of Polychlorinated Biphenyls in the Syn- and Anti-like Conformation

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2077193

Posted on 6 February 2012 | 5:16 pm


High H2 Uptake in Li-, Na-, K-Metalated Covalent Organic Frameworks and Metal Organic Frameworks at 298 K

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The Journal of Physical Chemistry A
DOI: 10.1021/jp206981d

Posted on 6 February 2012 | 5:12 pm


Theoretical Studies of the Excited Doublet States of SF and SCl and Singlet States of SF2, SFCl, and SCl2

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The Journal of Physical Chemistry A
DOI: 10.1021/jp210092d

Posted on 6 February 2012 | 2:07 pm


ATR-FTIR Studies on the Adsorption/Desorption Kinetics of Dimethylarsinic Acid on Iron–(Oxyhydr)oxides

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The Journal of Physical Chemistry A
DOI: 10.1021/jp210093n

Posted on 6 February 2012 | 1:45 pm


High Resolution Millimeter-Wave Spectroscopy of Cyclopropylphosphine–Borane

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The Journal of Physical Chemistry A
DOI: 10.1021/jp211611t

Posted on 6 February 2012 | 1:44 pm


Nonadiabatic Decay Dynamics of a Benzylidene Malononitrile

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2117888

Posted on 6 February 2012 | 6:03 am


Organic Peracids: A Structural Puzzle for 17O NMR and Ab Initio Chemical Shift Calculations

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The Journal of Physical Chemistry A
DOI: 10.1021/jp210679y

Posted on 3 February 2012 | 10:44 pm


Decomposition of Aminotetrazole Based Energetic Materials under High Heating Rate Conditions

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The Journal of Physical Chemistry A
DOI: 10.1021/jp203957t

Posted on 3 February 2012 | 10:44 pm


Infrared Multiple Photon Dissociation Spectroscopy of Cationized Histidine: Effects of Metal Cation Size on Gas-Phase Conformation

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The Journal of Physical Chemistry A
DOI: 10.1021/jp209636a

Posted on 3 February 2012 | 7:13 pm


Micro-Raman Observation on the HPO42– Association Structures in an Individual Dipotassium Hydrogen Phosphate (K2HPO4) Droplet

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2110743

Posted on 3 February 2012 | 3:51 pm


High-Resolution Absorption Cross Sections of Formaldehyde in the 30285–32890 cm–1 (304–330 nm) Spectral Region

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The Journal of Physical Chemistry A
DOI: 10.1021/jp210008g

Posted on 3 February 2012 | 3:49 pm


From Vanadium Naphthalene (Vn–1Npn) Sandwich Clusters to VNp Sandwich Nanowire: Structural, Energetic, Electronic, and Magnetic Properties

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2099398

Posted on 3 February 2012 | 3:23 pm


Carbon Dioxide in 1-Butyl-3-methylimidazolium Acetate. I. Unusual Solubility Investigated by Raman Spectroscopy and DFT Calculations

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The Journal of Physical Chemistry A
DOI: 10.1021/jp211211n

Posted on 3 February 2012 | 3:07 pm


Resonantly Enhanced Multiphoton Ionization and Zero Kinetic Energy Photoelectron Spectroscopy of Benzo[g,h,i]perylene

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2109576

Posted on 3 February 2012 | 3:05 pm


Stereoelectronic Interactions and the One-Bond C–F Coupling Constant in Sevoflurane

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The Journal of Physical Chemistry A
DOI: 10.1021/jp211949m

Posted on 2 February 2012 | 5:11 pm


Low-Energy Isomer Identification, Structural Evolution, and Magnetic Properties in Manganese-Doped Gold Clusters MnAun (n = 1–16)

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2094406

Posted on 2 February 2012 | 4:52 pm


Chemical-State Analysis of Organic Semiconductors Using Soft X-ray Absorption Spectroscopy Combined with First-Principles Calculation

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The Journal of Physical Chemistry A
DOI: 10.1021/jp208939u

Posted on 2 February 2012 | 1:38 pm


Reaction Mechanism of Naphthyl Radicals with Molecular Oxygen. 1. Theoretical Study of the Potential Energy Surface

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2119313

Posted on 2 February 2012 | 1:38 pm


Vibrational Spectra of Linear Oligomers of Carbonic Acid: A Quantum Chemical Study

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The Journal of Physical Chemistry A
DOI: 10.1021/jp209715x

Posted on 2 February 2012 | 1:37 pm


Gas-Phase Synthesis and Structure of Monomeric ZnOH: A Model Species for Metalloenzymes and Catalytic Surfaces

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The Journal of Physical Chemistry A
DOI: 10.1021/jp209875a

Posted on 1 February 2012 | 10:03 pm


Thermodynamics of Titanium and Vanadium Reduction in Non-Aqueous Environment Calculated at Various Levels of Theory

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The Journal of Physical Chemistry A
DOI: 10.1021/jp211690y

Posted on 1 February 2012 | 4:01 pm


Infrared Spectroscopy of Si(CO)n+ Complexes: Evidence for Asymmetric Coordination

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The Journal of Physical Chemistry A
DOI: 10.1021/jp211578t

Posted on 1 February 2012 | 1:48 pm


Luminescence of Ion-Pair States of Halogens in Liquid Perfluorocarbons.

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The Journal of Physical Chemistry A
DOI: 10.1021/jp210973p

Posted on 1 February 2012 | 1:33 pm


Ethanol Reforming on Co(0001) Surfaces: A Density Functional Theory Study

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The Journal of Physical Chemistry A
DOI: 10.1021/jp208179e

Posted on 1 February 2012 | 1:33 pm


A New Model for Magnesium Chemistry in the Upper Atmosphere

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The Journal of Physical Chemistry A
DOI: 10.1021/jp211526h

Posted on 31 January 2012 | 8:08 pm


A Recipe for Designing Molecules with Ever-Increasing Electron Affinities

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The Journal of Physical Chemistry A
DOI: 10.1021/jp211736e

Posted on 31 January 2012 | 8:05 pm


Surface Tension of Aqueous Electrolyte Solutions. Thermodynamics

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The Journal of Physical Chemistry A
DOI: 10.1021/jp211034y

Posted on 31 January 2012 | 7:56 pm


Product Detection of the CH Radical Reaction with Acetaldehyde

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2113126

Posted on 31 January 2012 | 6:24 am


Phase, Morphology, and Hygroscopicity of Mixed Oleic Acid/Sodium Chloride/Water Aerosol Particles before and after Ozonolysis

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The Journal of Physical Chemistry A
DOI: 10.1021/jp211429f

Posted on 31 January 2012 | 6:24 am


Mechanism Insights of Ethane C–H Bond Activations by Bare [FeIII?O]+: Explicit Electronic Structure Analysis

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2120302

Posted on 30 January 2012 | 10:41 pm


Ultrafast Site-Specific Fluorescence Quenching of 2-Aminopurine in a DNA Hairpin Studied by Femtosecond Down-Conversion

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The Journal of Physical Chemistry A
DOI: 10.1021/jp212187m

Posted on 30 January 2012 | 7:29 pm


Ionization Levels of Doped Copper Indium Sulfide Chalcopyrites

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The Journal of Physical Chemistry A
DOI: 10.1021/jp209594u

Posted on 30 January 2012 | 5:18 pm


Near Infrared Photochemistry of Pyruvic Acid in Aqueous Solution

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2087972

Posted on 27 January 2012 | 10:16 pm


Ground- and Triplet Excited-State Properties Correlation: A Computational CASSCF/CASPT2 Approach Based on the Photodissociation of Allylsilanes

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The Journal of Physical Chemistry A
DOI: 10.1021/jp209583z

Posted on 27 January 2012 | 9:39 pm


Photodissociation Studies of the Electronic and Vibrational Spectroscopy of Ni+(H2O)

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The Journal of Physical Chemistry A
DOI: 10.1021/jp211220v

Posted on 27 January 2012 | 8:26 pm


Conformations of the Glycine Tripeptide Analog Ac-Gly-Gly-NHMe: A Computational Study Including Aqueous Solvation Effects.

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The Journal of Physical Chemistry A
DOI: 10.1021/jp206152d

Posted on 27 January 2012 | 12:27 pm


Four-Electron, Three-Orbital Model for the Low-Energy Electronic Structure of Cationic Diarylmethanes: Notes on a “Pauling Point”

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The Journal of Physical Chemistry A
DOI: 10.1021/jp212295s

Posted on 26 January 2012 | 12:30 pm


Role of Rydberg States in the Photochemical Dynamics of Ethylene

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2097185

Posted on 25 January 2012 | 10:49 pm


Structures of Hydrocarbon Hydrates during Formation with and without Inhibitors

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The Journal of Physical Chemistry A
DOI: 10.1021/jp210714m

Posted on 25 January 2012 | 9:18 pm


Absorption Spectra and Photolysis of Methyl Peroxide in Liquid and Frozen Water

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The Journal of Physical Chemistry A
DOI: 10.1021/jp211304v

Posted on 25 January 2012 | 3:20 pm


Hydrogen Atom Reactivity toward Aqueous tert-Butyl Alcohol

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2116593

Posted on 25 January 2012 | 1:33 pm


?-Hydrogen Bonding Wins over Conventional Hydrogen Bonding Interaction: A Jet-Cooled Study of Indole···Furan Heterodimer

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The Journal of Physical Chemistry A
DOI: 10.1021/jp211366z

Posted on 25 January 2012 | 1:32 pm


Electrical Phenomena of Soft Particles. A Soft Step Function Model

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The Journal of Physical Chemistry A
DOI: 10.1021/jp212002e

Posted on 24 January 2012 | 5:44 pm


Prompt HO2 Formation Following the Reaction of OH with Aromatic Compounds under Atmospheric Conditions

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The Journal of Physical Chemistry A
DOI: 10.1021/jp210946y

Posted on 24 January 2012 | 5:24 pm


Parahalogenated Phenols Accelerate the Photochemical Release of Nitrogen Oxides from Frozen Solutions Containing Nitrate

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The Journal of Physical Chemistry A
DOI: 10.1021/jp210249t

Posted on 24 January 2012 | 3:03 pm


Mixed Quantum-Classical Dynamics in the Adiabatic Representation To Simulate Molecules Driven by Strong Laser Pulses

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The Journal of Physical Chemistry A
DOI: 10.1021/jp208997r

Posted on 5 January 2012 | 1:56 pm


Mechanism Elucidation for Nonstochastic Femtosecond Laser-Induced Ionization/Dissociation: From Amino Acids to Peptides

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The Journal of Physical Chemistry A
DOI: 10.1021/jp208421d

Posted on 4 January 2012 | 7:39 pm


Rate Constants and Branching Ratios for the Reaction of CH Radicals with NH3: A Combined Experimental and Theoretical Study

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The Journal of Physical Chemistry A
DOI: 10.1021/jp209383t

Posted on 23 December 2011 | 6:50 am


Structural Dynamics of 1,2-Diiodoethane in Cyclohexane Probed by Picosecond X-ray Liquidography

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2078314

Posted on 13 December 2011 | 2:57 pm


Fluorine–Fluorine Interactions in the Solid State: An Experimental and Theoretical Study

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2099976

Posted on 12 December 2011 | 2:13 pm


Bond Energies and Structures of Ammonia–Sulfuric Acid Positive Cluster Ions

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The Journal of Physical Chemistry A
DOI: 10.1021/jp209908f

Posted on 12 December 2011 | 2:11 pm


Thermal Decomposition Mechanism of 1-Ethyl-3-methylimidazolium Bromide Ionic Liquid

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The Journal of Physical Chemistry A
DOI: 10.1021/jp209389d

Posted on 8 December 2011 | 6:13 am


Rates of Ionic Reactions With Charged Nanoparticles In Aqueous Media

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The Journal of Physical Chemistry A
DOI: 10.1021/jp209488v

Posted on 6 December 2011 | 7:36 pm


Controlled Dynamics at an Avoided Crossing Interpreted in Terms of Dynamically Fluctuating Potential Energy Curves

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2071919

Posted on 6 December 2011 | 2:08 pm


Two-Dimensional Fourier Transform Spectroscopy of Adenine and Uracil Using Shaped Ultrafast Laser Pulses in the Deep UV

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The Journal of Physical Chemistry A
DOI: 10.1021/jp207228b

Posted on 2 December 2011 | 5:13 pm


Control of 1,3-Cyclohexadiene Photoisomerization Using Light-Induced Conical Intersections

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The Journal of Physical Chemistry A
DOI: 10.1021/jp208384b

Posted on 1 December 2011 | 10:39 pm


Photochemistry of Monochloro Complexes of Copper(II) in Methanol Probed by Ultrafast Transient Absorption Spectroscopy

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The Journal of Physical Chemistry A
DOI: 10.1021/jp208532u

Posted on 28 November 2011 | 9:20 pm


Wavelength Dependence of the Suppressed Ionization of Molecules in Strong Laser Fields

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The Journal of Physical Chemistry A
DOI: 10.1021/jp207257j

Posted on 23 November 2011 | 7:53 pm


Reproducibility of Observables and Coherent Control in Molecular Photoionization: From Continuous Wave to Ultrashort Pulsed Radiation

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2078049

Posted on 21 November 2011 | 5:10 pm


Velocity Map Imaging and Theoretical Study of the Coulomb Explosion of CH3I under Intense Femtosecond IR Pulses

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The Journal of Physical Chemistry A
DOI: 10.1021/jp207367a

Posted on 21 November 2011 | 3:55 pm


Coupled-Channels Quantum Theory of Electronic Flux Density in Electronically Adiabatic Processes: Application to the Hydrogen Molecule Ion

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The Journal of Physical Chemistry A
DOI: 10.1021/jp207844w

Posted on 21 November 2011 | 2:25 pm


Coupled-Channels Quantum Theory of Electronic Flux Density in Electronically Adiabatic Processes: Fundamentals

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The Journal of Physical Chemistry A
DOI: 10.1021/jp207843z

Posted on 21 November 2011 | 2:25 pm


Ultrafast Control of the Internuclear Distance with Parabolic Chirped Pulses

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2076484

Posted on 15 November 2011 | 1:53 pm


Photochemistry and Photophysics of n-Butanal, 3-Methylbutanal, and 3,3-Dimethylbutanal: Experimental and Theoretical Study

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The Journal of Physical Chemistry A
DOI: 10.1021/jp208665v

Posted on 14 November 2011 | 10:52 pm


Stark Control of a Chiral Fluoroethylene Derivative

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The Journal of Physical Chemistry A
DOI: 10.1021/jp207947x

Posted on 9 November 2011 | 6:23 am


Ultrafast Photophysics of the Isolated Indole Molecule

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The Journal of Physical Chemistry A
DOI: 10.1021/jp207750y

Posted on 3 November 2011 | 6:28 am


Positioning of Bound Electron Wave Packets in Molecules Revealed by High-Harmonic Spectroscopy

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The Journal of Physical Chemistry A
DOI: 10.1021/jp207838z

Posted on 2 November 2011 | 5:29 pm


Temperature Dependence of the Heat Diffusivity of Proteins

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2061877

Posted on 2 November 2011 | 5:28 pm


Ultrafast Vibrational Frequency Shifts Induced by Electronic Excitations: Naphthols in Low Dielectric Media

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The Journal of Physical Chemistry A
DOI: 10.1021/jp208426v

Posted on 1 November 2011 | 8:20 pm


Light-Induced Conical Intersections: Topological Phase, Wave Packet Dynamics, and Molecular Alignment

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The Journal of Physical Chemistry A
DOI: 10.1021/jp206860p

Posted on 1 November 2011 | 6:38 am


Effects of Excitation Energy on the Autodetachment Lifetimes of Small Iodide-Doped ROH Clusters (R?H–, CH3–, CH3CH2?)

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The Journal of Physical Chemistry A
DOI: 10.1021/jp208016w

Posted on 1 November 2011 | 6:37 am


Effect of Laser Parameters on Ultrafast Hydrogen Migration in Methanol Studied by Coincidence Momentum Imaging

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The Journal of Physical Chemistry A
DOI: 10.1021/jp207483y

Posted on 24 October 2011 | 10:33 pm


Quantum Dynamics through Conical Intersections: Combining Effective Modes and Quadratic Couplings

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2068528

Posted on 20 October 2011 | 8:49 pm


Water Dynamics at Protein Interfaces: Ultrafast Optical Kerr Effect Study

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2074539

Posted on 11 October 2011 | 9:46 pm


Influence of Intramolecular Hydrogen Bonding on OH-Stretching Overtone Intensities and Band Positions in Peroxyacetic Acid

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The Journal of Physical Chemistry A
DOI: 10.1021/jp206637t

Posted on 11 October 2011 | 5:58 pm


Transferability of Atomic Multipoles in Amino Acids and Peptides for Various Density Partitions

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The Journal of Physical Chemistry A
DOI: 10.1021/jp204010v

Posted on 26 September 2011 | 7:39 am


Nitryl Chloride (ClNO2): UV/Vis Absorption Spectrum between 210 and 296 K and O(3P) Quantum Yield at 193 and 248 nm

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The Journal of Physical Chemistry A
DOI: 10.1021/jp207389y

Posted on 21 September 2011 | 6:11 pm


Ultrafast Dynamics of Nonequilibrium Resonance Energy Transfer and Probing Globular Protein Flexibility of Myoglobin

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The Journal of Physical Chemistry A
DOI: 10.1021/jp206106j

Posted on 24 August 2011 | 11:22 pm


Exploring Ultrafast H-Atom Elimination versus Photofragmentation Pathways in Pyrazole Following 200 nm Excitation

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2053212

Posted on 1 August 2011 | 8:01 pm


Infrared Spectra of Dimethylphenanthrenes in the Gas phase

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2045542

Posted on 28 July 2011 | 8:54 pm





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Chronological list of recent articles on Chemistry, Physical Chemistry, Journal of Physical Chemistry A.
Update:
25.04.2011


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