화학공학소재연구정보센터

Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.123, No.22 Entire volume, number list
ISSN: 1089-5639 (Print) 

In this Issue (18 articles)

4639 - 4657 New Developments in Semiclassical Transition-State Theory
Shang X, Burd TAH, Clary DC
4658 - 4670 Exploring Amyloid-beta Dimer Structure Using Molecular Dynamics Simulations
Mehrazma B, Rauk A
4671 - 4678 Gas-Phase Reaction between CF2O and CF3C(O)OH: Characterization of CF3C(O)OC(O)F
Berasategui M, Arguello GA, Paci MAB
4679 - 4692 Large Intermediates in Hydrazine Decomposition: A Theoretical Study of the N3H5 and N4H6 Potential Energy Surfaces
Dana AG, Moore KB, Jasper AW, Green WH
4693 - 4701 Site-Selective Isomerization of Cyano-Substituted Butadienes: Chemical Control of Nonadiabatic Dynamics
MacDonell RJ, Schuurman MS
4702 - 4707 Controlling Electron Dynamics with Carrier-Envelope Phases of a Laser Pulse
Dey D, Ray D, Tiwari AK
4708 - 4716 S-1/S-0 Potential Energy Surfaces Experience Different Types of Restricted Rotation: Restricted Z/E Photoisomerization and E/Z Thermoisomerization by an Out-of-Plane Benzyl Group or In-Plane m-Pyridinium Group?
Xu JJ, Sung R, Sung K
4717 - 4726 Photophysics of Acyl- and Ester-DBD Dyes: Quadrupole-Induced Solvent Relaxation Investigated by Transient Absorption Spectroscopy
Haubitz T, John L, Wessig P, Kumke MU
4727 - 4736 Effects of Naphthyl Connectivity on the Photophysics of Compact Organic Charge-Transfer Photoredox Catalysts
Sartor SM, Lattke YM, McCarthy BG, Miyake GM, Damrauer NH
4737 - 4742 Size-Dependent Relaxation Processes of Photoexcited [n]Cycloparaphenylenes (n=5-12): Significant Contribution of Internal Conversion in Smaller Rings
Fujitsuka M, Lu C, Zhuang B, Kayahara E, Yamago S, Majima T
4743 - 4749 Activation of CO2 in Photoirradiated CO2-H2O Clusters: Direct Ab Initio Molecular Dynamics (MD) Study
Tachikawa H
4750 - 4754 Infrared Spectra of the 1-Methylvinoxide Radical and Anion Isolated in Solid Argon
Lin MY, Huang TP, Wu PZ, Chin CH, Wu YJ
4755 - 4763 Variationally Computed IR Line List for the Methyl Radical CH3
Adam AY, Yachmenev A, Yurchenko SN, Jensen P
4764 - 4775 Theoretical Calculation of Reaction Rates and Combustion Kinetic Modeling Study of Triethyl Phosphate (TEP)
Neupane S, Rahman RK, Masunov AE, Vasu SS
4776 - 4784 Molecular Dynamics of Combustion Reactions in Supercritical Carbon Dioxide. Part 5: Computational Study of Ethane Dissociation and Recombination Reactions C2H6 (sic) CH3 + CH3
Wang CH, Panteleev SV, Masunov AE, Allison TC, Chang S, Lim C, Jin Y, Vasu SS
4785 - 4795 Domain Separation in Density Functional Theory
Mosquera MA, Jones LO, Borca CH, Ratner MA, Schatz GC
4796 - 4805 Performance of ACE-Reaction on 26 Organic Reactions for Fully Automated Reaction Network Construction and Microkinetic Analysis
Kim JW, Kim Y, Baek KY, Lee K, Kim WY
4806 - 4815 On the Models for the Investigation of Charged Defects in Solids: The Case of the VN- Defect in Diamond
Dovesi R, Gentile FS, Ferrari AM, Pascale F, Salustro S, D'Arco P