Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.123, No.38 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (28 articles)

8083 - 8088	Resonant Behavior in a Periodically Forced Nonisothermal Oregonator Garcia-Selfa D, Munuzuri AP, Perez-Mercader J, Simakov DSA
8089 - 8098	Experimental and Theoretical Study of the O(D-1) + HD Reaction Nunez-Reyes D, Hickson KM, Larregaray P, Bonnet L, Gonzalez-Lezana T, Bhowmick S, Suleimanov YV
8099 - 8108	Singlet-Triplet Inversion in Heptazine and in Polymeric Carbon Nitrides Ehrmaier J, Rabe EJ, Pristash SR, Corp KL, Schlenker CW, Sobolewski AL, Domcke W
8109 - 8121	Theoretical Investigation of the Atmospheric Photochemistry of Glyoxylic Acid in the Gas Phase Harrison AW, Shaw MF, De Bruyn WJ
8122 - 8129	Photo-induced Electron Transfer or Proton-Coupled Electron Transfer in Methylbipyridine/Phenol Complexes: A Time-Dependent Density Functional Theory Investigation Hossen T, Sahu K
8130 - 8134	Spin-Polarized Hydrogen Depolarization Rates at High Hydrogen Halide Pressures: Hyperfine Depolarization via the HY-H Complex Boulogiannis GK, Kannis CS, Katsoprinakis GE, Sofikitis D, Rakitzis TP
8135 - 8147	Ionic Polymerization in Cold Plasmas of Acetylene with Ar and He Jimenez-Redondo M, Tanarro I, Pelaez RJ, Diaz-Perez L, Herrero VJ
8148 - 8153	Effects of Selenium Species on the Belousov-Zhabotinsky Reaction Xu CF, Ye XQ, Luo ZD, Shi YY, Gao C, Bai Y
8154 - 8169	Accurate CHIPR Potential Energy Surface for the Lowest Triplet State of C-3 Rocha CMR, Varandas AJC
8170 - 8178	Formation of the M2B18q Teetotum Boron Clusters with 4d and 5d Transition Metals M = Rh, Pd, Ir, and Pt Pham HT, Nguyen MT
8179 - 8187	Benzoxazine Formation Mechanism Evaluation by Direct Observation of Reaction Intermediates Ribeiro FWM, Rodrigues-Oliveira AF, Correra TC
8188 - 8199	BN-Doped Graphene and Single-Walled Carbon Nanotubes for the Catalysis of S(N)2 Reactions: Insights from Density Functional Theory Modeling Alves I, Magalhaes AL
8200 - 8207	Experimental and DFT Studies on the Identity Exchange Reactions between Phenyl Chalcogen Iranium Ions and Alkenes Brydon SC, Ren ZH, da Silva G, Lim SF, Khairallah GN, Rathjen MJ, White JM, O'Hair RAJ
8208 - 8219	Formation of Cerium and Neodymium Isocyanides in the Reactions of Cyanogen with Ce and Nd Atoms in Argon Matrices Fang ZT, Vasiliu M, Chen XT, Gong Y, Andrews L, Dixon DA
8220 - 8225	Direct Observation of intrachain Hydrogen Bonds in Aqueous Hyaluronan Giubertoni G, Koenderink GH, Bakker HJ
8226 - 8233	Protoisomerization of Indigo and Isoindigo Dyes Confirmed by Gas-Phase Infrared Ion Spectroscopy Munshi MU, Martens J, Berden G, Oomens J
8234 - 8242	Toward Elimination of Discrepancies between Theory and Experiment: Anharmonic Rotational-Vibrational Spectrum of Water in Solid Noble Gas Matrices Dinu DF, Podewitz M, Grothe H, Liedl KR, Loerting T
8243 - 8253	Solid-State O-17 NMR Study of Carboxylic Acid Dimers: Simultaneously Accessing Spectral Properties of Low- and High-Energy Tautomers Wu G, Hung I, Gan ZH, Terskikh V, Kong XQ
8254 - 8264	Stress Tensor Eigenvector Following with Next-Generation Quantum Theory of Atoms in Molecules: Excited State Photochemical Reaction Path from Benzene to Benzvalene Malcomson T, Azizi A, Momen R, Xu TL, Kirk SR, Paterson MJ, Jenkins S
8265 - 8273	Ground and Low-Lying Excited States of NbC3-/0 Clusters: Assignment of the Anion Photoelectron Spectra from Multiconfigurational Calculations Tran VT, Tran QT, Hendrickx MFA
8274 - 8284	Isomer-Selective Detection of Keto-Hydroperoxides in the Low-Temperature Oxidation of Tetrahydrofuran Hansen N, Moshammer K, Jasper AW
8285 - 8293	Nanoscale Fluid Vortices and Nonlinear Electroosmotic Flow Drive Ion Current Rectification in the Presence of Concentration Gradients Rabinowitz J, Edwards MA, Whittier E, Jayant K, Shepard KL
8294 - 8304	On-Top Ratio for Atoms and Molecules Carlson RK, Truhlar DG, Gagliardi L
8305 - 8313	Machine Learning To Predict Standard Enthalpy of Formation of Hydrocarbons Yalamanchi KK, van Oudenhoven VCO, Tutino F, Monge-Palacios M, Alshehri A, Gao X, Sarathy SM
8314 - 8320	Assessment of pK(a) Determination for Monocarboxylic Acids with an Accurate Theoretical Composite Method: G4CEP Silva CD, Custodio R
8321 - 8332	From Surface Hopping to Quantum Dynamics and Back. Finding Essential Electronic and Nuclear Degrees of Freedom and Optimal Surface Hopping Parameters Gomez S, Heindl M, Szabadi A, Gonzalez L
8333 - 8333	Solid Oganesson via a Many-Body Interaction Expansion Based on Relativistic Coupled-Cluster Theory and from Plane-Wave Relativistic Density Functional Theory (vol 123, pg 4201, 2019) Jerabek P, Smits OR, Mewes JM, Peterson KA, Schwerdtfeger P
8334 - 8334	Periodicity of Quadrilateral Tetra-Atomic Molecules (vol 123, pg 6652, 2019) Kong FN, Liu XL