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Showing results for ISSN matching 1089-5639

Influence of the Collision Energy on the O(1D) + RH → OH(X2Π) + R (RH = CH4, C2H6, C3H8) Reaction Dynamics:  A Laser-Induced Fluorescence and Quasiclassical Trajectory Study

JOURNAL ARTICLE published 1 January 2000 in The Journal of Physical Chemistry A

Authors: Miguel González | María P. Puyuelo | Jordi Hernando | R. Sayós | Pedro A. Enríquez | Javier Guallar | Irene Baños

https://doi.org/10.1021/jp990691p Actions

Structure and Stability of Lanthanum−Carbon Cations

JOURNAL ARTICLE published 1 January 1998 in The Journal of Physical Chemistry A

Authors: Douglas L. Strout | Michael B. Hall

https://doi.org/10.1021/jp972583d Actions

Connections between High-Density Scaling Limits of DFT Correlation Energies and Second-Order Z-1 Quantum Chemistry Correlation Energy

JOURNAL ARTICLE published 1 April 1998 in The Journal of Physical Chemistry A

Authors: Stanislav Ivanov | Mel Levy

https://doi.org/10.1021/jp9731415 Actions

Quantum Monte Carlo Simulation Studies of the Structures of the Liquid−Vapor Interfaces of Sn and Pb

JOURNAL ARTICLE published 1 December 1999 in The Journal of Physical Chemistry A

Authors: Stuart A. Rice | Meishan Zhao

https://doi.org/10.1021/jp991669z Actions

Solvent Effect on the O2(bΣg+) → O2(a1Δg) Emission Spectrum

JOURNAL ARTICLE published 1 February 1998 in The Journal of Physical Chemistry A

Authors: Dean Weldon | Bojie Wang | Tina D. Poulsen | Kurt V. Mikkelsen | Peter R. Ogilby

https://doi.org/10.1021/jp9802275 Actions

Master Equation Analysis of Thermal and Nonthermal Microwave Effects

JOURNAL ARTICLE published 20 October 2016 in The Journal of Physical Chemistry A

Research funded by National Natural Science Foundation of China (21303110,91441107)

Authors: Jianyi Ma

https://doi.org/10.1021/acs.jpca.6b03941 Actions

Nonrigid Group Theory, Tunneling Splittings, and Nuclear Spin Statistics of Water Pentamer:  (H2O)5

JOURNAL ARTICLE published 1 July 2004 in The Journal of Physical Chemistry A

Authors: K. Balasubramanian

https://doi.org/10.1021/jp049955k Actions

What Parameters Determine N−N and O−O Coupling Constants (2hJX-X) Across X−H+−X Hydrogen Bonds?

JOURNAL ARTICLE published 1 February 2001 in The Journal of Physical Chemistry A

Authors: Janet E. Del Bene | S. Ajith Perera | Rodney J. Bartlett

https://doi.org/10.1021/jp003470o Actions

Structures, Vibrational Spectra, and Relative Energetics of HBrO3 Isomers

JOURNAL ARTICLE published 1 March 1998 in The Journal of Physical Chemistry A

Authors: Sujata Guha | Joseph S. Francisco

https://doi.org/10.1021/jp980299w Actions

Forward−Backward Quantum Dynamics for Time Correlation Functions

JOURNAL ARTICLE published 1 February 2004 in The Journal of Physical Chemistry A

Authors: Nancy Makri

https://doi.org/10.1021/jp0308615 Actions

Reorganization Parameters of Electronic Transitions in Electronically Delocalized Systems. 2. Optical Spectra

JOURNAL ARTICLE published 1 July 2000 in The Journal of Physical Chemistry A

Authors: Dmitry V. Matyushov | Gregory A. Voth

https://doi.org/10.1021/jp9938866 Actions

A Superexchange-Mediated Sequential Hopping Theory for Charge Transfer in DNA

JOURNAL ARTICLE published 1 October 2001 in The Journal of Physical Chemistry A

Authors: Xin-Qi Li | Houyu Zhang | YiJing Yan

https://doi.org/10.1021/jp011965n Actions

Highly Varying Photophysical Properties of Thiocarbonyls:  Validation of Fundamental Theoretical Concepts of Electronic Radiationless Transitions

JOURNAL ARTICLE published 1 April 2002 in The Journal of Physical Chemistry A

Authors: David C. Moule | Edward C. Lim

https://doi.org/10.1021/jp013929u Actions

Separability of Intra- and Intermolecular Vibrational Relaxation Processes in the S1 State of trans-Stilbene

JOURNAL ARTICLE published 1 February 1997 in The Journal of Physical Chemistry A

Authors: S. L. Schultz | J. Qian | J. M. Jean

https://doi.org/10.1021/jp962454h Actions

To What Extent Do External Fields and Vibrational and Isotopic Effects Influence NMR Coupling Constants Across Hydrogen Bonds? Two-Bond Cl−N Spin−Spin Coupling Constants (2hJCl-N) in Model ClH:NH3 Complexes

JOURNAL ARTICLE published 1 May 2002 in The Journal of Physical Chemistry A

Authors: Janet E. Del Bene | Meredith J. T. Jordan

https://doi.org/10.1021/jp020348b Actions

Ab Initio Studies for Geometrical Structures of Ammonia Cluster Cations

JOURNAL ARTICLE published 1 June 2000 in The Journal of Physical Chemistry A

Authors: Jong Keun Park

https://doi.org/10.1021/jp994052q Actions

Distribution of Rovibrational Product States for the “Prompt” Reaction H + D2(v = 0, j = 0−4) → HD(v‘ = 1,2, j‘) + D near 1.6 eV Collision Energy

JOURNAL ARTICLE published 1 March 2001 in The Journal of Physical Chemistry A

Authors: Brian D. Bean | Félix Fernández-Alonso | Richard N. Zare

https://doi.org/10.1021/jp0027288 Actions

Hybrid Quantum Classical Molecular Dynamics Simulation of the Proton-Transfer Reaction of HO- with HBr in Aqueous Clusters

JOURNAL ARTICLE published 1 July 1999 in The Journal of Physical Chemistry A

Authors: M. Dolores Elola | Dario A. Estrin | Daniel Laria

https://doi.org/10.1021/jp983678y Actions

Spin−Orbit Effects on the Electronic Structure of Heavy and Superheavy Hydrogen Halides:  Prediction of an Anomalously Strong Bond in H[117]

JOURNAL ARTICLE published 1 February 1999 in The Journal of Physical Chemistry A

Authors: Clinton S. Nash | Bruce E. Bursten

https://doi.org/10.1021/jp9843407 Actions

Cubic Optical Response of Molecules in a Nonequilibrium and Equilibrium Solvation Model

JOURNAL ARTICLE published 1 October 1999 in The Journal of Physical Chemistry A

Authors: Kristian O. Sylvester-Hvid | Kurt V. Mikkelsen | Dan Jonsson | Patrick Norman | Hans Ågren

https://doi.org/10.1021/jp983271t Actions
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