Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.124, No.41 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (27 articles)

8359 - 8372	Data-Inspired and Physics-Driven Model Reduction for Dissociation: Application to the O-2 + O System Venturi S, Sharma MP, Lopez B, Panesi M
8373 - 8382	Theoretical Investigation of a Vital Step in the Gas-Phase Formation of Interstellar Ammonia NH2+ + H-2 -> NH3+ + H Mohandas S, Ramabhadran RO, Kumar SS
8383 - 8389	Hydrolysis of Dimethyl Methylphosphonate (DMMP) in Hot-Compressed Water Pinkard BR, Shetty S, Kramlich JC, Reinhall PG, Novosselov IV
8390 - 8397	Phase Change-Driven Negative Activation Energies in Pd/Carbon-Based/Organic Getter Hydrogenation Reactions Dinh LN, Sharma HN, Matt SM, McLean W, Maxwell RS
8398 - 8413	Theoretical Investigations on the Oxidation of Heptafluoro-iso-butyronitrile by Atomic Oxygen in Dielectric Breakdown Yu XJ, Hou H, Wang BS
8414 - 8420	Reactivity of Iron Hydride Anions Fe2Hn- (n=0-3) with Carbon Dioxide Liu YZ, Li XN, He SG
8421 - 8428	Hydrogen Dissociation Dynamics from Water Clusters on Triplet-State Energy Surfaces Tachikawa H, Kawabata H
8429 - 8438	Photophysics of Isolated Rose Bengal Anions Stockett MH, Kjaer C, Daly S, Bieske EJ, Verlet JRR, Nielsen SB, Bull JN
8439 - 8445	Dissociation of Valine Cluster Cations Tiefenthaler L, Oncak M, Kollotzek S, Kocisek J, Scheier P
8446 - 8460	Evaluation of Single-Reference DFT-Based Approaches for the Calculation of Spectroscopic Signatures of Excited States Involved in Singlet Fission Han J, Rehn DR, Buckup T, Dreuw A
8461 - 8468	Self-Reactions in the HBr+ (DBr+) + HBr System: A State-Selective Investigation of the Role of Rotation Schmidt S, Plamper D, Jekkel J, Weitzel KM
8469 - 8477	Singlet Oxygen Generation via UV-A, -B, and -C Photoexcitation of Isoprene-Oxygen (C5H8-O-2) Encounter Complexes in the Gas Phase Pyryaeva AP, Ershov KS, Kochubei SA, Baklanov AV
8478 - 8487	Balancing Charge Transfer and Frenkel Exciton Coupling Leads to Excimer Formation in Molecular Dimers: Implications for Singlet Fission Bae YJ, Shimizu D, Schultz JD, Kang G, Zhou JW, Schatz GC, Osuka A, Wasielewski MR
8488 - 8495	Structure and Stability of a Trefoil Leaf Motif of Metal-Doped Silicon and Germanium Clusters: M-3@E-20 with E = Si and Ge and M = Fe, Ru, and Os Pham HT, Nguyen MT
8496 - 8508	Absolute Photoabsorption Cross-Sections of Methanol for Terrestrial and Astrophysical Relevance Lange E, Lozano AI, Jones NC, Hoffmann SV, Kumar S, Smialek MA, Duflot D, Brunger MJ, Limao-Vieira P
8509 - 8518	Conformational Isomerism of 3-Chalcogenomethyl-N-Methyl-2-Pyrrolidinones: Insights from NMR Spectroscopy and Molecular Modeling de Melo UZ, Fernandes CD, Francisco CB, Carini TC, Gauze GD, Rittner R, Basso EA
8519 - 8528	Perturbation of Pyridinium CIVP Spectra by N-2 and H-2 Tags: An Experimental and BOMD Study Tsybizova A, Paenurk E, Gorbachev V, Chen P
8529 - 8539	Nuclear Spin-Spin Couplings: Efficient Evaluation of Exact Exchange and Extension to Local Hybrid Functionals Mack F, Schattenberg CJ, Kaupp M, Weigend F
8540 - 8550	Solid-State Effect Induced Thermally Activated Delayed Fluorescence with Tunable Emission: A Multiscale Study Zhang K, Zhang YC, Ma YY, Fan JZ, Wang CK, Lin LL
8551 - 8561	Electron Momentum Spectroscopy Study on the Valence Electronic Structure of Dimethyl Sulfide Considering Vibrational Effects Liu ZH, Tang YG, Niu SS, Shan X, Xu CK, Chen XJ
8562 - 8573	Coordination and Solvation in Gas-Phase Ag+(C2H2)(n) Complexes Studied with Selected-Ion Infrared Spectroscopy Brathwaite AD, Ward TB, Marks JH, Duncan MA
8574 - 8584	Photolysis of CH3CN Ices by Soft X-rays: Implications for the Chemistry of Astrophysical Ices at the Surroundings of X-ray Sources Carvalho GA, Pilling S
8585 - 8593	Molecular Mechanisms and Atmospheric Implications of Criegee Intermediate-Alcohol Chemistry in the Gas Phase and Aqueous Surface Environments Tang B, Li ZY
8594 - 8606	CRAHCN-O: A Consistent Reduced Atmospheric Hybrid Chemical Network Oxygen Extension for Hydrogen Cyanide and Formaldehyde Chemistry in CO2-, N-2-, H2O-, CH4-, and H-2-Dominated Atmospheres Pearce BD, Ayers PW, Pudritz RE
8607 - 8613	Machine Learning Quantum Reaction Rate Constants Komp E, Valleau S
8614 - 8632	Systematic Parameterization and Simulation of Boronic Acid-beta-Lactamase Aqueous Solution in Developing the ABEEM sigma pi Polarizable Force Field Lu LN, Liu C, Yang ZZ
8633 - 8642	Evaporation and Fragmentation of Organic Molecules in Strong Electric Fields Simulated with DFT Dietrich CA, Schuldt R, Born D, Solodenko H, Schmitz G, Kastner J