Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.123, No.10 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (29 articles)

1905 - 1907	A Tribute to William M. Jackson, Jr Goodson T, Houston PL, McCrary VR
1908 - 1913	Autobiography of "William M. Jackson, Jr." Jackson WM
1923 - 1928	Unimolecular Rate Constants versus Energy and Pressure as a Convolution of Unimolecular Lifetime and Collisional Deactivation Probabilities. Analyses of Intrinsic Non-RRKM Dynamics Malpathak S, Hase WL
1929 - 1936	Theoretical Study on Criegee Intermediate's Role in Ozonolysis of Acrylic Acid Lin X, Meng H, Feng BB, Zhai YT, Li YB, Yu YP, Li ZH, Shan XB, Liu FY, Zhang LD, Sheng LS
1937 - 1944	Nonadiabatic Dynamics in Photodissociation of Hydroxymethyl in the 3(2)A(3p(x)) Rydberg State: A Nine-Dimensional Quantum Study Xie CJ, Malbon CL, Xie DQ, Yarkony DR, Guo H
1945 - 1952	Photo- and Electro-Driven Molecular Switching System of Aryl-Bridged Photochromic Radical Complexes Yamamoto K, Mutoh K, Abe J
1953 - 1961	Photoinduced Formation of H-Bonded Ion Pair in HCFC-133a Rodrigues GP, de Lima TML, de Andrade RB, Ventura E, do Monte SA, Barbatti M
1962 - 1967	Symmetry-Broken Many-Body Excited States of the Gaseous Atomic Double-Well Bose-Einstein Condensate Masiello DJ, Reinhardt WP
1968 - 1972	Reinvestigation of Acetophenones Oxidation by Performic Acid in Formic Acid Reyes L, Nicolas-Vazquez MI, Iuga C, Alvarez-Idaboy JR
1973 - 1982	Remarkable Structural Effect on the Gold-Hydrogen Analogy in Hydrogen-Doped Gold Cluster Megha, Kamal C, Mondal K, Ghanty TK, Banerjee A
1983 - 1998	Computational Evidence Suggests That 1-Chloroethanol May Be an Intermediate in the Thermal Decomposition of 2-Chloroethanol into Acetaldehyde and HCl Salta Z, Kosmas AM, Ventura ON, Barone V
1999 - 2007	Electron Localization Function and Compton Profiles of Cu2O Maurya V, Joshi KB
2008 - 2017	Pentadiynylidene and Its Methyl-Substituted Derivates: Threshold Photoelectron Spectroscopy of R-1-C-5-R-2 Triplet Carbon Chains Reusch E, Kaiser D, Schleier D, Buschmann R, Krueger A, Hermann T, Engels B, Fischer I, Hemberger P
2018 - 2024	Molecular Potential Energies from Experimental Electric Field and Electrostatic Potential at Nuclei Ghermani NE
2025 - 2039	Exploring Cycloreversion Reaction of Cyclobutane Pyrimidine Dimers Quantum Mechanically Huang DL, Chen SF, Pu JZ, Tan XC, Zhou Y
2040 - 2048	Electronic and Molecular Structures of the CeB6 Monomer Mason JL, Harb H, Huizenga CD, Ewigleben JC, Topolski JE, Hratchian HP, Jarrold CC
2049 - 2057	A Multireference Ab Initio Study of the Diradical Isomers of Pyrazine Scott T, Nieman R, Luxon A, Zhang B, Lischka H, Gagliardi L, Parish CA
2058 - 2064	Anomalous Temperature Dependence of the Lowest-Frequency Lattice Vibration in Crystalline gamma-Aminobutyric Acid Dampf SJ, Korter TM
2065 - 2072	Simulation of Impulsive Vibrational Spectroscopy Hernandez FJ, Bonafe FP, Aradi B, Frauenheim T, Sanchez CG
2073 - 2079	Heteroarylcarbene-Arylnitrene Radical Cation Isomerizations Begue D, Dargelos A, Braybrook C, Wentrup C
2080 - 2090	Investigation of Conversion and Decay Processes in Thermally Activated Delayed Fluorescence Copper(I) Molecular Crystal: Theoretical Estimations from an ONIOM Approach Combined with the Tuned Range-Separated Density Functional Theory Lv LL, Yuan K, Zhu YC, Zuo GF, Wang YC
2091 - 2099	Electron Propagator Theory Approach to the Electron Binding Energies of a Prototypical Photo-Switch Molecular System: Azobenzene Martins GF, Cabral BJC
2100 - 2106	State-Interaction Pair-Density Functional Theory Can Accurately Describe a Spiro Mixed Valence Compound Dong SS, Huang KB, Gagliardi L, Truhlar DG
2107 - 2113	Ionic Species in a Naphthalene Plasma: Understanding Fragmentation Patterns and Growth of PAHs Alliati M, Donaghy D, Tu X, Bradley JW
2114 - 2124	Organic Surfactants Protect Dissolved Aerosol Components against Heterogeneous Oxidation Faust JA, Abbatt JPD
2125 - 2141	Development of the ReaxFF Methodology for Electrolyte-Water Systems Fedkin MV, Shin YK, Dasgupta N, Yeon J, Zhang WW, van Duin D, van Duin ACT, Mori K, Fujiwara A, Machida M, Nakamura H, Okumura M
2142 - 2152	Self-Evolving Machine: A Continuously Improving Model for Molecular Thermochemistry Li YP, Han KH, Grambow CA, Green WH
2153 - 2162	Resonance Enhanced Multiphoton Ionization Detected Millimeter-Wave Absorption: The 115 GHz Line of CO Beutner V, Duffy LM, Meyer H
2163 - 2170	Identifying Free Energy Hot-Spots in Molecular Transformations Dietschreit JCB, Peters LDM, Kussmann J, Ochsenfeld C