화학공학소재연구정보센터

Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.117, No.33 Entire volume, number list
ISSN: 1089-5639 (Print) 

In this Issue (47 articles)

7643 - 7654 Chemodynamics of Soft Charged Nanoparticles in Aquatic Media: Fundamental Concepts
Town RM, Buffle J, Duval JFL, van Leeuwen HP
7655 - 7660 Kinetics of the Oxidation of Thymine and Thymidine by Triplet 2,2'-Dipyridyl in Aqueous Solutions at Different pH Values
Nguyen TX, Grampp G, Yurkovskaya AV, Lukzen N
7661 - 7669 Stochastic Lindemann Kinetics for Unimolecular Gas-Phase Reactions
Saha S, Dua A
7670 - 7685 Computational Study of the Combustion and Atmospheric Decomposition of 2-Methylfuran
Davis AC, Sarathy SM
7686 - 7696 Master Equation Modeling of the Unimolecular Decompositions of Hydroxymethyl (CH2OH) and Methoxy (CH3O) Radicals to Formaldehyde (CH2O) + H
Dames EE, Golden DM
7697 - 7704 Formation of Methyl Radicals from Decomposition of Methyl-Substituted Silanes over Tungsten and Tantalum Filament Surfaces
Toukabri R, Alkadhi N, Shi YJ
7705 - 7711 Kinetics Simulation of Luminol Chemiluminescence Based on Quantitative Analysis of Photons Generated in Electrochemical Oxidation
Koizumi Y, Nosaka Y
7712 - 7720 Rapid "Step Capture" of Holes in Chloroform during Pulse Radiolysis
Cook AR, Bird MJ, Asaoka S, Miller JR
7721 - 7736 Intramolecular Charge Transfer with Crystal Violet Lactone in Acetonitrile As a Function of Temperature: Reaction Is Not Solvent-Controlled
Druzhinin SI, Demeter A, Zachariasse KA
7737 - 7741 Metamorphosis of a Transition State into a Stable Species
Yosipof A, Basch H, Hoz S
7742 - 7753 Kinetics Studies of the Reactions of Main Fourth-Period Monocations (Ga+, Ge+, As+, and Se+) with Methyl Fluoride
Barrientos C, Rayon VM, Largo A, Sordo JA, Redondo P
7754 - 7766 Bond Energy of IrO+: Guided Ion-Beam and Theoretical Studies of the Reaction of Ir+ (F-5) with O-2
Armentrout PB, Li FX
7767 - 7775 Time-Resolved and Mechanistic Study of the Photochemical Uncaging Reaction of the o-Hydroxycinnamic Caged Compound
Yu YQ, Wu LD, Zou XR, Dai XJ, Liu KH, Su HM
7776 - 7785 Dynamical Excimer Formation in Rigid Carbazolophane via Charge Transfer State
Tamai Y, Ohkita H, Shimada J, Benten H, Ito S, Yamanaka S, Hisada K, Tani K, Kubono K, Shinmyozu T
7786 - 7793 Enhancement of Triplet Stability in Benzene by Substituents with Triple Bonds
Johnson PM, Sears TJ
7794 - 7803 Infrared Spectroscopy of Solvation in Small Zn+(H2O)(n) Complexes
Bandyopadhyay B, Reishus KN, Duncan MA
7804 - 7809 Linear and Nonlinear Optical Properties of Expanded Porphyrins: A DMRG Study
Thomas S, Pati YA, Ramasesha S
7810 - 7817 Infrared Photodissociation Spectroscopy of Mass Selected Homoleptic Copper Carbonyl Cluster Cations in the Gas Phase
Cui JM, Zhou XJ, Wang GJ, Chi CX, Liu ZP, Zhou MF
7818 - 7822 Triplet Sensitization in an Anionic Poly(phenyleneethynylene) Conjugated Polyelectrolyte by Cationic Iridium Complexes
Vella JH, Parthasarathy A, Schanze KS
7823 - 7832 Photochemical Properties of Mono-, Tr-, and Penta-Cationic Antimony(V) Metalloporphyrin Derivatives on a Clay Layer Surface
Tsukamoto T, Shimada T, Takagi S
7833 - 7840 Photophysics of Soret-Excited Tin(IV) Porphyrins in Solution
Ghiggino KP, Giri NK, Hanrieder J, Martell JD, Muller J, Paige MF, Robotham B, Szmytkowski J, Steer RP
7841 - 7846 The Ground State of (CS)(4) Is Different from That of (CO)(4): An Experimental Test of a Computational Prediction by Negative Ion Photoelectron Spectroscopy
Zhang J, Hrovat DA, Sun ZR, Bao XG, Borden WT, Wang XB
7847 - 7854 Antenna Effect by Organometallic Chromophores in Bimetallic d-f Complexes
Ferraro F, Paez-Hernandez D, Murillo-Lopez JA, Munoz-Castro A, Arratia-Perez R
7855 - 7862 Concise NMR Approach for Molecular Dynamics Characterizations in Organic Solids
Aliev AE, Courtier-Murias D
7863 - 7875 Quantitative Time-Resolved Vibrational Sum Frequency Generation Spectroscopy as a Tool for Thin Film Kinetic Studies: New Insights into Oleic Acid Monolayer Oxidation
Kleber J, Lass K, Friedrichs G
7876 - 7886 Study of the Atmospheric Chemistry of 2-Formylcinnamaldehyde
Aschmann SM, Arey J, Atkinson R
7887 - 7903 Sink or Surf: Atmospheric Implications for Succinic Acid at Aqueous Surfaces
Blower PG, Ota ST, Valley NA, Wood SR, Richmond GL
7904 - 7917 Decomposition Pathways of the Neutral and Protonated Formamide in Some Lower-Lying Excited States
Nguyen HT, Nguyen VS, Trung NT, Havenith RWA, Nguyen MT
7918 - 7927 Nature of Noncovalent Interactions in Catenane Supramolecular Complexes: Calibrating the MM3 Force Field with ab Initio, DFT, and SAPT Methods
Simeon TM, Ramer MA, Schatz GC
7928 - 7938 Theoretical Investigation of the Reaction Mechanism of ClONO2 + HCl -> HNO3 + Cl-2 on (H2O)(n) (n=0-3) Cluster
Asada T, Okajima T, Koseki S
7939 - 7945 Unusual Through-Space, TS, Pathway for the Transmission of J(FHf) Coupling: 2-Fluorobenzaldehyde Study Case
Favaro DC, Contreras RH, Tormena CF
7946 - 7958 Covalent Bonding: The Fundamental Role of the Kinetic Energy
Bacskay GB, Nordholm S
7959 - 7969 Oxidative Decomposition of Propylene Carbonate in Lithium Ion Batteries: A DFT Study
Leggesse EG, Lin RT, Teng TF, Chen CL, Jiang JC
7970 - 7979 Effects of Aromatic Trifluoromethylation, Fluorination, and Methylation on Intermolecular pi-pi Interactions
Mottishaw JD, Sun HR
7980 - 7988 Effective Hamiltonian Crystal Field As Applied to Magnetic Exchange Parameters in mu-Oxo-Bridged Cr(III) Dimers
Tchougreeff AL, Dronskowski R
7989 - 8000 Role of the Multipolar Electrostatic Interaction Energy Components in Strong and Weak Cation-pi Interactions
Kadlubanski P, Calderon-Mojica K, Rodriguez WA, Majumdar D, Roszak S, Leszczynski J
8001 - 8009 Dynamics and Thermodynamics of Crystalline Polymorphs. 2. beta-Glycine, Analysis of Variable-Temperature Atomic Displacement Parameters
Aree T, Burgi HB, Minkov VS, Boldyreva EV, Chernyshov D, Tornroos KW
8010 - 8016 Theoretical Study of the O center dot center dot center dot Cl Interaction in Fluorinated Dimethyl Ethers Complexed with a Cl Atom: Is It through a Two-Center-Three-Electron Bond?
Zeegers-Huyskens T, Lily M, Sutradhar D, Chandra AK
8017 - 8025 Theoretical Calculation of Reorganization Energy for Electron Self-Exchange Reaction by Constrained Density Functional Theory and Constrained Equilibrium Thermodynamics
Ren HS, Ming MJ, Ma JY, Li XY
8026 - 8034 Comparison between Alkalimetal and Group 11 Transition Metal Halide and Hydride Tetramers: Molecular Structure and Bonding
El-Hamdi M, Sola M, Frenking G, Poater J
8035 - 8042 Substituent Effects in Ugi-Smiles Reactions
Cheron N, Ramozzi R, El Kaim L, Grimaud L, Fleurat-Lessard P
8043 - 8053 Microsolvation of the Potassium Ion with Aromatic Rings: Comparison between Hexafluorobenzene and Benzene
Marques JMC, Llanio-Trujillo JL, Alberti M, Aguilar A, Pirani F
8054 - 8064 Probing Isotope Shifts in Rh-103 and Pt-195 NMR Spectra with Density Functional Theory
Davis JC, Buhl M, Koch KR
8065 - 8072 Molecular Conformations and Magnetic Parameters of the Compact Trimethylenemethane-Type Triplet Diradical
Misochko EY, Korchagin DV, Akimov AV, Masitov AA, Tolstikov SE, Tretyakov EV, Ovcharenko VI
8073 - 8080 Predicting Singlet-Triplet Energy Splittings with Projected Hartree-Fock Methods
Rivero P, Jimenez-Hoyos CA, Scuseria GE
8081 - 8090 Theoretical Study of Interactions between Halogen-Substituted s-Triazine and Halide Anions
Chen YS
8091 - 8091 Spectroscopy and Photophysics of Bifunctional Proton Donor-Acceptor Indole Derivatives (vol 117, pg 4898, 2013)
Vetokhina V, Kijak M, Lipinska TM, Thummel RP, Sepiol J, Waluk J, Herbich J