화학공학소재연구정보센터

Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.123, No.19 Entire volume, number list
ISSN: 1089-5639 (Print) 

In this Issue (22 articles)

4095 - 4095 Virtual Issue on Strong Field Chemistry
Li W, Schlegel HB
4096 - 4103 Temperature-Dependent Rate Coefficient for the Reaction of CH3SH with the Simplest Criegee Intermediate
Li YL, Lin YH, Yin CT, Takahashi K, Chiang CY, Chang YP, Lin JJM
4104 - 4118 Combined Experimental and Computational Study on the Reaction Dynamics of the 1-Propynyl (CH3CC)-1,3-Butadiene (CH2CHCHCH2) System and the Formation of Toluene under Single Collision Conditions
Thomas AM, He C, Zhao L, Galimova GR, Mebel AM, Kaiser RI
4119 - 4124 Differentiation of True Nonlinear and Incoherent Mixing of Linear Signals in Action-Detected 2D Spectroscopy
Kalaee AAS, Damtie F, Karki KJ
4125 - 4138 On the Elementary Chemical Mechanisms of Unidirectional Proton Transfers: A Nonadiabatic Electron-Wavepacket Dynamics Study
Yamamoto K, Takatsuka K
4139 - 4148 Experimental Approach to the Study of Anharmonicity in the Infrared Spectrum of Pyrene from 14 to 723 K
Chakraborty S, Mulas G, Demyk K, Joblin C
4149 - 4157 Gas-Phase Infrared Ion Spectroscopy Characterization of Cu(II/I)Cyclam and Cu(II/I)2,2 '-Bipyridine Redox Pairs
Munshi MU, Martens J, Berden G, Oomens J
4158 - 4167 Photoelectron Spectroscopy of Biacetyl and Its Cluster Anions
Dauletyarov Y, Wallace AA, Blackstone CC, Sanov A
4168 - 4177 Infrared Spectroscopy of Disilicon-Carbide, Si2C: The nu(3) Fundamental Band
Witsch D, Lutter V, Breier AA, Yamada KMT, Fuchs GW, Gauss J, Giesen TF
4178 - 4187 Single-Conformation Spectroscopy of Capped Aminoisobutyric Acid Dipeptides: The Effect of C-Terminal Cap Chromophores on Conformation
Fischer JL, Elvir BR, DeLucia SA, Blodgett KN, Zeller M, Kubasik MA, Zwier TS
4188 - 4200 Density Functional Theory Descriptors for Ionic Liquids and the Introduction of a Coulomb Correction
Philippi F, Quinten A, Rauber D, Springborg M, Hempelmann R
4201 - 4211 Solid Oganesson via a Many-Body Interaction Expansion Based on Relativistic Coupled-Cluster Theory and from Plane-Wave Relativistic Density Functional Theory
Jerabek P, Smits OR, Mewes JM, Peterson KA, Schwerdtfeger P
4212 - 4231 Active Thermochemical Tables: The Partition Function of Hydroxymethyl (CH2OH) Revisited
Bross DH, Yu HG, Harding LB, Ruscic B
4232 - 4240 Absorption Spectra of Acetylene, Vinylidene, and Their Deuterated Isotopologues on Ab Initio Potential Energy and Dipole Moment Surfaces
Chang J, Guo LF, Wang RF, Mou J, Ren HS, Ma JY, Guo H
4241 - 4261 Thermodynamic, Raman Spectroscopic, and UV-Visible Optical Characterization of the Deltic, Squaric, and Croconic Cyclic Oxocarbon Acids
Colmenero F, Escribano R
4262 - 4273 Nonstatistical Dissociation Dynamics of Nitroaromatic Chromophores
Blackshaw KJ, Ortega BI, Quartey NK, Fritzeen WE, Korb RT, Ajmani AK, Montgomery L, Marracci M, Vanegas GG, Galvan J, Sarvas Z, Petit AS, Kidwell NM
4274 - 4283 Bond Fragility Spectra for the Double Proton-Transfer Reaction in the Formic Acid-Type Dimers
Zaklika J, Komorowski L, Ordon P
4284 - 4294 Coherent State-Based Path Integral Methodology for Computing the Wigner Phase Space Distribution
Bose A, Makri N
4295 - 4302 Improved Chemical Prediction from Scarce Data Sets via Latent Space Enrichment
Iovanac NC, Savoie BM
4303 - 4313 Development of the ReaxFF Reactive Force Field for Inherent Point Defects in the Si/Silica System
Nayir N, van Duin ACT, Erkoc S
4314 - 4321 Evaluation of Electron-Impact Ionization Cross Sections for Molecules
Pal S, Kumar M, Singh R, Kumar N
4322 - 4323 Comment on "Additional Insights Between Fermi-Lowdin Orbital SIC and the Localization Equation Constraints in SIC-DFT"
Jackson KA, Withanage KPK, Peralta JE