J. Phys. Chem. A
Table of Contents for The Journal of Physical Chemistry A. List of articles from both the latest and ahead of print issues.
Updated: 1 hour 2 min ago
Interactions of Dimethylsulfoxide with a Dipalmitoylphosphatidylcholine Monolayer Studied by Vibrational Sum Frequency Generation†
The Journal of Physical Chemistry A, Volume 113, Issue 45, Page 12655-12662, November 12, 2009.Categories: ACS journal feeds
Theoretical Study on the f−f Transition Intensities of Lanthanide Trihalide Systems†
The Journal of Physical Chemistry A, Volume 113, Issue 45, Page 12615-12625, November 12, 2009.
Categories: ACS journal feeds
Benchmarking Electronic Structure Calculations on the Bare UO22+ Ion: How Different are Single and Multireference Electron Correlation Methods?†
The Journal of Physical Chemistry A, Volume 113, Issue 45, Page 12504-12511, November 12, 2009.
Categories: ACS journal feeds
O(3P) + C2H4 Potential Energy Surface: Study at the Multireference Level†
The Journal of Physical Chemistry A, Volume 113, Issue 45, Page 12663-12674, November 12, 2009.
Categories: ACS journal feeds
Ab Initio Characterization of C6†
The Journal of Physical Chemistry A, Volume 113, Issue 45, Page 12404-12410, November 12, 2009.
Categories: ACS journal feeds
Study of the Mechanism of the N−CO Photodissociation in N,N-Dimethylformamide by Direct Trajectory Surface Hopping Simulations†
The Journal of Physical Chemistry A, Volume 113, Issue 45, Page 12582-12590, November 12, 2009.Categories: ACS journal feeds
Theoretical Study on the Reaction of Ground State Cyano Radical with Propylene in Titan’s Atmosphere†
The Journal of Physical Chemistry A, Volume 113, Issue 45, Page 12675-12685, November 12, 2009.
Categories: ACS journal feeds
Erratum: Solvent Effects in Chemical Processes. Water-Assisted Proton Transfer Reaction of Pterin in Aqueous Environment
The Journal of Physical Chemistry A, Volume 113, Issue 45, Page 12748, November 12, 2009.
Categories: ACS journal feeds
Koopmans’ Theorem in the Restricted Open-Shell Hartree−Fock Method. 1. A Variational Approach†
The Journal of Physical Chemistry A, Volume 113, Issue 45, Page 12386-12395, November 12, 2009.
Categories: ACS journal feeds
Assessment of the Accuracy of Shape-Consistent Relativistic Effective Core Potentials Using Multireference Spin−Orbit Configuration Interaction Singles and Doubles Calculations of the Ground and Low-Lying Excited States of U4+ and U5+†
The Journal of Physical Chemistry A, Volume 113, Issue 45, Page 12626-12631, November 12, 2009.
Categories: ACS journal feeds
Improved Embedding Ab Initio Model Potentials for Embedded Cluster Calculations†
The Journal of Physical Chemistry A, Volume 113, Issue 45, Page 12454-12460, November 12, 2009.
Categories: ACS journal feeds
Photodynamics Simulations of Thymine: Relaxation into the First Excited Singlet State†
The Journal of Physical Chemistry A, Volume 113, Issue 45, Page 12686-12693, November 12, 2009.
Categories: ACS journal feeds
Combustion Pathways of the Alkylated Heteroaromatics: Bond Dissociation Enthalpies and Alkyl Group Fragmentations†
The Journal of Physical Chemistry A, Volume 113, Issue 45, Page 12370-12379, November 12, 2009.
Categories: ACS journal feeds
Accurate Relativistic Small-Core Pseudopotentials for Actinides. Energy Adjustment for Uranium and First Applications to Uranium Hydride†
The Journal of Physical Chemistry A, Volume 113, Issue 45, Page 12573-12581, November 12, 2009.
Categories: ACS journal feeds
Energy Gaps in the 4f135d1 Manifold and Multiple Spontaneous Emissions in Yb2+-Doped CsCaBr3†
The Journal of Physical Chemistry A, Volume 113, Issue 45, Page 12591-12598, November 12, 2009.
Categories: ACS journal feeds
Electronic Structure and Chemical Bonding in the Lowest Electronic States of TcN†
The Journal of Physical Chemistry A, Volume 113, Issue 45, Page 12421-12426, November 12, 2009.
Categories: ACS journal feeds
Identifying the Molecular Origin of Global Warming†
The Journal of Physical Chemistry A, Volume 113, Issue 45, Page 12694-12699, November 12, 2009.Categories: ACS journal feeds
Density Functional Studies on the Complexation and Spectroscopy of Uranyl Ligated with Acetonitrile and Acetone Derivatives†
The Journal of Physical Chemistry A, Volume 113, Issue 45, Page 12525-12531, November 12, 2009.
Categories: ACS journal feeds
Matrix Infrared Spectroscopic and Computational Investigation of Late Lanthanide Metal Hydride Species MHx(H2)y (M = Tb−Lu, x = 1−4, y = 0−3)†
The Journal of Physical Chemistry A, Volume 113, Issue 45, Page 12566-12572, November 12, 2009.Categories: ACS journal feeds
The Hydrolysis Activity of Adenosine Triphosphate in Myosin: A Theoretical Analysis of Anomeric Effects and the Nature of the Transition State†
The Journal of Physical Chemistry A, Volume 113, Issue 45, Page 12439-12446, November 12, 2009.
Categories: ACS journal feeds