화학공학소재연구정보센터

Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.118, No.6 Entire volume, number list
ISSN: 1089-5639 (Print) 

In this Issue (22 articles)

955 - 964 Intramolecular Vibrational Dynamics in Free Polyatomic Molecules with C=O Chromophore Bond Excited by Resonant Femtosecond IR Laser Radiation
Chekalin SV, Kompanets VO, Koshlyakov PV, Laptev VB, Pigulsky SV, Makarov AA, Ryabov EA
965 - 973 Modifying Vibrational Energy Flow in Aromatic Molecules: Effects of Ortho Substitution
Pein BC, Dlott DD
974 - 985 Direct Kinetic Study of OH and O-3 Formation in the Reaction of CH3C(O)O-2 with HO2
Gross CBM, Dillon TJ, Schuster G, Lelieveld J, Crowley JN
986 - 992 First-Principles Study on Site Preference and 4f -> 5d Transitions of Ce3+ in Sr3AlO4F
Ning LX, Wang YF, Wang ZC, Jin W, Huang SZ, Duan CK, Zhang YF, Chen WP, Liang HB
993 - 1003 Near-Infrared Excited State Dynamics of Melanins: The Effects of Iron Content, Photo-Damage, Chemical Oxidation, and Aggregate Size
Simpson MJ, Wilson JW, Robles FE, Dall CP, Glass K, Simon JD, Warren WS
1004 - 1011 Trimethylamine/Sulfuric Acid/Water Clusters: A Matrix Isolation Infrared Study
Rozenberg M, Loewenschuss A, Nielsen CJ
1012 - 1023 First-Principles Calculation of the Optical Properties of an Amphiphilic Cyanine Dye Aggregate
Haverkort F, Stradomska A, de Vries AH, Knoester J
1024 - 1030 C-alpha-H Carries Information of a Hydrogen Bond Involving the Geminal Hydroxyl Group: A Case Study with a Hydrogen-Bonded Complex of 1,1,1,3,3,3-Hexafluoro-2-propanol and Tertiary Amines
Pal U, Sen S, Maiti NC
1031 - 1037 Vibrationally Resolved Photoelectron Imaging of Au3H-
Liu ZL, Qin ZB, Wu X, Xie H, Cong R, Tang ZC
1038 - 1046 Structure, Electronic States, and Anion-Binding Properties of Cyclo[4]naphthobipyrroles
Kowalska P, Gawinkowski S, Sarma T, Panda PK, Waluk J
1047 - 1051 Fluorination Effects on the Shapes of Complexes of Water with Ethers: A Rotational Study of Trifluoroanisole-Water
Gou Q, Spada L, Vallejo-Lopez M, Kang L, Novick SE, Caminati W
1052 - 1066 Adsorption, Mobility, and Self-Association of Naphthalene and 1-Methylnaphthalene at the Water-Vapor Interface
Gladich I, Habartova A, Roeselova M
1067 - 1076 Ab Initio Investigation of the Thermal Decomposition of n-Butylcyclohexane
Ali MA, Dillstrom VT, Lai JYW, Violi A
1077 - 1083 Ab lnitio Molecular Dynamics Study of Small Alkali Metal Clusters
Donoso R, Cardenas C, Fuentealba P
1084 - 1093 Investigation on CD Inversion at Visible Region Caused by a Tilt of the pi-Conjugated Substituent: Theoretical and Experimental Approaches by Using an Asymmetric Framework of Diarylethene Annulated Isomer
Hirose T, Inoue Y, Hasegawa J, Higashiguchi K, Matsuda K
1094 - 1102 Nonplanar Donor-Acceptor Chiral Molecules with Large Second-Order Optical Nonlinearities: 1,1,4,4-Tetracyanobuta-1,3-diene Derivatives
Si YL, Yang GC
1103 - 1112 Vapor-Phase Raman Spectra, Theoretical Calculations, and the Vibrational and Structural Properties of cis- and trans-Stilbene
Egawa T, Shinashi K, Ueda T, Kola EJ, Chiang WY, Laane J
1113 - 1122 Interpretation of Electron Delocalization in Benzene, Cyclobutadiene, and Borazine Based on Visualization of Individual Molecular Orbital Contributions to the Induced Magnetic Field
Charistos ND, Papadopoulos AG, Sigalas MP
1123 - 1131 Microsolvation of 1,4-Butanediol: The Competition between Intra- and Intermolecular Hydrogen Bonding
Bachrach SM
1132 - 1141 Ab Initio Studies on the Photophysics of Uric Acid and Its Monohydrates: Role of the Water Molecule
Yamazaki S, Urashima S, Saigusa H, Taketsugu T
1142 - 1149 A Fuzzy-Atom Analysis of Electron Delocalization on Hydrogen Bonds
Guillaumes L, Salvador P, Simon S
1150 - 1154 Quantum Mechanical Basis for Kinetic Diameters of Small Gaseous Molecules
Mehio N, Dai S, Jiang DE