Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.124, No.7 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (28 articles)

1205 - 1226	Microcanonical Rate Constants for Unimolecular Reactions in the Low-Pressure Limit Jasper AW
1227 - 1234	Time-Dependent Density Functional Theory Investigation of Excited State Intramolecular Proton Transfer in Tris(2-hydroxyphenyl)triazasumanene Sartyoungkul S, Ehara M, Sakurai H
1235 - 1239	Falloff Curves of the Reaction CF3 (+M) -> CF2 + F (+M) Cobos CJ, Knight G, Solter L, Tellbach E, Troe J
1240 - 1252	Conformer-Specific Photolysis of Pyruvic Acid and the Effect of Water Blair SL, Harris AER, Frandsen BN, Kjaergaard HG, Pangui E, Cazaunau M, Doussin JF, Vaida V
1253 - 1265	Time-Resolved Femtosecond Stimulated Raman Spectra and DFT Anharmonic Vibrational Analysis of an Electronically Excited Rhenium Photosensitizer Pizl M, Picchiotti A, Rebarz M, Lenngren N, Liu YL, Zalis S, Kloz M, Vlcek A
1266 - 1271	Experimental and Theoretical Study of the Vibrationally Excited Reaction Cl + D-2 (v=1, j=0) -> DCl plus D Xie YR, Wang YF, Wang W, Dai DX, Sun ZG, Xiao CL, Yang XM
1272 - 1278	Electronic State and Photophysics of 2-Ethylhexyl-4-methoxycinnamate as UV-B Sunscreen under Jet-Cooled Condition Muramatsu S, Nakayama S, Kinoshita SN, Onitsuka Y, Kohguchi H, Inokuchi Y, Zhu CY, Ebata T
1279 - 1288	Correlation between Equilibrium Constant and Stabilization Energy: A Combined Approach Based on Chemical Thermodynamics, Statistical Thermodynamics, and Density Functional Reactivity Theory Hamid A, Roy RK
1289 - 1299	Structural Evolution and Stability Trend of Small-Sized Gold Clusters Au-n (n=20-30) Nhat PV, Si NT, Nguyen MT
1300 - 1305	Open-Circuit Voltage of Organic Photovoltaics: A Time-Dependent and Unrestricted DFT Study in a P3HT/PCBM Complex Martinez JP, Sola M
1306 - 1311	Understanding Trends in Molecular Bond Angles Linker GJ, van Duijnen PT, Broer R
1312 - 1320	Density Functional Theory Investigation of Nonlinear Optical Properties of T-Graphene Quantum Dots Deb J, Paul D, Sarkar U
1321 - 1333	Analyzing Magnetically Induced Currents in Molecular Systems Using Current-Density-Functional Theory Irons TJP, Spence L, David G, Speake BT, Helgaker T, Teale AM
1334 - 1342	Negative Electron Affinities and Derivative Discontinuity Contribution from a Generalized Gradient Approximation Exchange Functional Carmona-Espindola J, Gazquez JL, Vela A, Trickey SB
1343 - 1352	Multifrequency Nuclear Magnetic Resonance as an Efficient Tool To Investigate Heterospin Complexes in Solutions Fishman NN, Lukzen NN, Ivanov KL, Edeleva MV, Fokin SV, Romanenko GV, Ovcharenko VI
1353 - 1361	Microwave Spectrum and Internal Rotations of Heptan-2-one: A Pheromone in the Gas Phase Andresen M, Kleiner I, Schwell M, Stahl W, Nguyen HVL
1362 - 1371	Axial Ligation in Ytterbium(III) DOTAM Complexes Rationalized with Multireference and Ligand-Field ab Initio Calculations Rodriguez-Rodriguez A, Arnosa-Prieto A, Brandariz I, Esteban-Gomez D, Platas-Iglesias C
1372 - 1381	Rich Collection of n-Propylamine and Isopropylamine Conformers: Rotational Fingerprints and State-of-the-Art Quantum Chemical Investigation Melosso M, Melli A, Spada L, Zheng Y, Chen JH, Li M, Lu T, Feng G, Gou Q, Dore L, Barone V, Puzzarini C
1382 - 1389	The Importance of How the Pieces Fit Together: The Microwave Spectrum and Molecular Structure of 2-Chloro-1,1-Difluoroethylene-Acetylene Leung HO, Marshall MD
1390 - 1398	Computational Study of Photo-oxidative Degradation Mechanisms of Boron-Containing Oligothiophenes Kucur O, Turan HT, Monari A, Aviyente V
1399 - 1408	Jones-Wilkins-Lee Unreacted and Reaction Product Equations of State for Overdriven Detonations in Octogen- and Triaminotrinitrobenzene-Based Plastic-Bonded Explosives Tarver CM
1409 - 1420	Calculation of Diamagnetic Susceptibility Tensors of Organic Crystals: From Coronene to Pharmaceutical Polymorphs Guo R, Uddin MN, Price LS, Price SL
1421 - 1428	Stochastic or Not? Method To Predict and Quantify the Stochastic Effects on the Association Reaction Equilibria in Nanoscopic Systems Goch W, Bal W
1429 - 1436	Detecting Laser-Volatilized Salts with a Miniature 100-GHz Spectrometer Raymond AW, Lee KLK, McCarthy MC, Drouin BJ, Mazur E
1437 - 1443	Triplet Shelving in Fluorescein and Its Derivatives Provides Delayed, Background-Free Fluorescence Detection Demissie AA, Dickson RM
1444 - 1463	Investigation of Multiple-Bond Dissociation Using Brillouin-Wigner Perturbation with Improved Virtual Orbitals Chattopadhyay S
1464 - 1464	Projective Method for the Calculation of Excited State Electronic Coupling: Isolating Charge Transfer/Recombination Processes in Organic Photovoltaics (vol 124, pg 591, 2020) Hume PA, Hodgkiss JM
1465 - 1465	Reactive, Inelastic, and Dissociation Processes in Collisions of Atomic Oxygen with Molecular Nitrogen (vol 121, pg 6211, 2017) Esposito F, Armenise I