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Journal of Physical Chemistry A - Aktuelle Forschungsartikel

Aktuelle Forschungsartikel: Physikalische Chemie

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Hier aufgeführte Forschungsartikel:

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

Themen: Dynamik, Kinetik, Umweltchemie, Spektroskopie, Struktur und Theorie. Die Zeitschrift veröffentlicht Studien über Dynamik, Cluster und angeregte Zustände, Kinetik und Spektroskopie; atmosphärische, ökologische und grüne Chemie und molekulare Struktur, Quantenchemie und allgemeine Theorie.

Wissenschaftliche Fachartikel:

Reaction of Hydroxyl Radicals with C4H5N (Pyrrole): Temperature and Pressure Dependent Rate Coefficients

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The Journal of Physical Chemistry A
DOI: 10.1021/jp211241x

Posted on 10 February 2012 | 9:48 pm

Kinetic Investigation of the OH Radical and Cl Atom Initiated Degradation of Unsaturated Ketones at Atmospheric Pressure and 298 K

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2109972

Posted on 10 February 2012 | 7:39 pm

Development of a New Flow Reactor for Kinetic Studies. Application to the Ozonolysis of a Series of Alkenes

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The Journal of Physical Chemistry A
DOI: 10.1021/jp211480x

Posted on 10 February 2012 | 5:49 pm

Laboratory Studies of CHF2CF2CH2OH and CF3CF2CH2OH: UV and IR Absorption Cross Sections and OH Rate Coefficients between 263 and 358 K

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2111633

Posted on 10 February 2012 | 4:38 pm

Origins of the Stability of Imidazole–Imidazole, Benzene–Imidazole, and Benzene–Indole Dimers: CCSD(T)/CBS and SAPT Calculations

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2109779

Posted on 10 February 2012 | 3:44 pm

Studies of Impulsive Vibrational Influence on Ultrafast Electronic Excitation Transfer

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2094609

Posted on 10 February 2012 | 3:15 pm

Electron Localization and Radiation Chemistry of Amides

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2115687

Posted on 10 February 2012 | 1:39 pm

QTAIM Characteristics of Halogen Bond and Related Interactions

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2109303

Posted on 9 February 2012 | 9:53 pm

A Comparative Ab Initio Study of the Primary Hydration and Proton Dissociation of Various Imide and Sulfonic Acid Ionomers

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The Journal of Physical Chemistry A
DOI: 10.1021/jp209822k

Posted on 9 February 2012 | 8:38 pm

Cavity-Enhanced Measurements of Hydrogen Peroxide Absorption Cross Sections from 353 to 410 nm

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2104616

Posted on 9 February 2012 | 7:49 pm

Theoretical Shock Sensitivity Index for Explosives

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The Journal of Physical Chemistry A
DOI: 10.1021/jp209730a

Posted on 9 February 2012 | 7:06 pm

Iodine Emission in the Presence of Humic Substances at the Water’s Surface

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2048234

Posted on 9 February 2012 | 3:51 pm

Influence of the Environment on the Specificity of the Mg(II) Binding to Uracil

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The Journal of Physical Chemistry A
DOI: 10.1021/jp208823f

Posted on 9 February 2012 | 3:51 pm

Accurate Potential Energy Curve for B2. Ab Initio Elucidation of the Experimentally Elusive Ground State Rotation-Vibration Spectrum

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The Journal of Physical Chemistry A
DOI: 10.1021/jp210473e

Posted on 9 February 2012 | 6:22 am

Interaction of NO2 with TiO2 Surface Under UV Irradiation: Products Study

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The Journal of Physical Chemistry A
DOI: 10.1021/jp210078b

Posted on 8 February 2012 | 9:43 pm

Computational Studies for Reduced Graphene Oxide in Hydrogen-Rich Environment

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2107439

Posted on 8 February 2012 | 7:39 pm

Unique Stoichiometric Representation for Computational Thermochemistry

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The Journal of Physical Chemistry A
DOI: 10.1021/jp211795s

Posted on 8 February 2012 | 4:55 pm

Improvement of the Modeling of the Low-Temperature Oxidation of n-Butane: Study of the Primary Reactions

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The Journal of Physical Chemistry A
DOI: 10.1021/jp211434f

Posted on 8 February 2012 | 3:49 pm

Jahn–Teller Intersections Induced by Introduction of Bending in Linear Polyatomics: Study with HCNH, a Selected Molecular System

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The Journal of Physical Chemistry A
DOI: 10.1021/jp208684p

Posted on 8 February 2012 | 2:23 pm

The Overall Reaction Process of Ozone with Methacrolein and Isoprene in the Condensed Phase

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The Journal of Physical Chemistry A
DOI: 10.1021/jp2100864

Posted on 8 February 2012 | 2:23 pm

Effects of Charge Location on the Absorptions and Lifetimes of Protonated Tyrosine Peptides in Vacuo

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The Journal of Physical Chemistry A
DOI: 10.1021/jp208578w

Posted on 8 February 2012 | 1:13 pm

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

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

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

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

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

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

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

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

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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Stichworte:
Chronologische Liste mit Fachartikeln zum Thema Chemie, Physikalische Chemie, Journal of Physical Chemistry A.
Stand:
25.04.2011
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