J. Phys. Chem. A
latest articles published in The Journal of Physical Chemistry A
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Vibrational and Electronic Structure Analysis of a Carbon Dioxide Interaction with Functionalized Single-Walled Carbon Nanotubes
Categories: American Chemical Society
Major Differences between the Binuclear Manganese Boronyl Carbonyl Mn2(BO)2(CO)9 and Its Isoelectronic Chromium Carbonyl Analogue Cr2(CO)11
Categories: American Chemical Society
Reduced-Dimensional Quantum Computations for the Rotational–Vibrational Dynamics of F––CH4 and F––CH2D2
Categories: American Chemical Society
Efficient Procedure for the Numerical Calculation of Harmonic Vibrational Frequencies Based on Internal Coordinates
Categories: American Chemical Society
Accurate Semiexperimental Structure of 1,3,4-Oxadiazole by the Mixed Estimation Method
Categories: American Chemical Society
Nuclear-Spin Selection Rules in the Chemistry of Interstellar Nitrogen Hydrides
Categories: American Chemical Society
FHF– Isotopologues: Highly Anharmonic Hydrogen-Bonded Systems with Strong Coriolis Interaction
Categories: American Chemical Society
Spectroscopy and Photochemistry of Sodium Chromate Ester Cluster Ions
Categories: American Chemical Society
Toward a Physically Based Quantitative Modeling of Impact Sensitivities
Categories: American Chemical Society
Solvent Effect on Pathways and Mechanisms for d-Fructose Conversion to 5-Hydroxymethyl-2-furaldehyde: In Situ 13C NMR Study
Categories: American Chemical Society
Aminoxyl (Nitroxyl) Radicals in the Early Decomposition of the Nitramine RDX
Categories: American Chemical Society
Surface Interactions of Aromatic Organoarsenical Compounds with Hematite Nanoparticles Using ATR-FTIR: Kinetic Studies
Categories: American Chemical Society
Electronic Relaxation after Resonant Laser Excitation of Cr in Superfluid Helium Nanodroplets
Categories: American Chemical Society
Structure of Iron Ions in Some Acetone Based Electrolytes
Categories: American Chemical Society
Parameterization of Reactive Force Field: Dynamics of the [Nb6O19Hx](8–x)– Lindqvist Polyoxoanion in Bulk Water
Categories: American Chemical Society
The Melatonin Conformer Space: Benchmark and Assessment of Wave Function and DFT Methods for a Paradigmatic Biological and Pharmacological Molecule
Categories: American Chemical Society
Molecular Orientation and Dynamics of Different Sized Organic Radicals Included in Organic 1D Nanochannels
Categories: American Chemical Society
Direct Test of the Equivalency of Dynamic IR and Dynamic Raman Spectroscopies As Techniques for Observing Ultrafast Molecular Dynamics
Categories: American Chemical Society
Solid-State Nuclear Magnetic Resonance Measurements of HIV Fusion Peptide 13CO to Lipid 31P Proximities Support Similar Partially Inserted Membrane Locations of the α Helical and β Sheet Peptide Structures
Categories: American Chemical Society
Implementation of Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT), Generalized (G)SAFT+Cubic, and Cubic-Plus-Association (CPA) for Modeling Thermophysical Properties of Selected 1-Alkyl-3-methylimidazolium Ionic Liquids in a Wide Pressure R
Categories: American Chemical Society