화학공학소재연구정보센터

Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.121, No.4 Entire volume, number list
ISSN: 1089-5639 (Print) 

In this Issue (18 articles)

741 - 752 Hybrid Equation-of-Motion Coupled-Cluster/Effective Fragment Potential Method: A Route toward Understanding Photoprocesses in the Condensed Phase
Ghosh D
753 - 761 Insights into the Thermal Eliminations and Photoeliminations of B,N-Heterocycles: A Theoretical Study
Wu WJ, Li QS, Li ZS
762 - 770 Hydrogen-Bonding Modification in Biuret Under Pressure
Borstad GM, Ciezak-Jenkins JA
771 - 776 Infrared Spectroscopy of Methanol and Methanol/Water Clusters in Helium Nanodroplets: The OH Stretching Region
Sulaiman MI, Yang SF, Ellis AM
777 - 783 Rotational Dynamics of Quantum State-Selected Symmetric-Top Molecules in Nonresonant Femtosecond Laser Fields
Luo SZ, Hu WH, Yu JQ, Zhu RH, He LH, Li XK, Ma P, Wang CC, Liu FC, Roeterdink WG, Stolte S, Ding DJ
784 - 792 Characterization of Excimer Relaxation via Femtosecond Shortwave- and Mid-Infrared Spectroscopy
Mauck CM, Young RM, Wasielewski MR
793 - 802 Photochromic Mechanism of a Bridged Diarylethene: Combined Electronic Structure Calculations and Nonadiabatic Dynamics Simulations
Wang YT, Gao YJ, Wang Q, Cui GL
803 - 809 Controlled Generation of Tm2+ Ions in Nanocrystalline BaFCl:Tm3+ by X-ray Irradiation
Zhang J, Riesen H
810 - 818 Reactive Uptake of Gaseous Sesquiterpenes on Aqueous Surfaces
Matsuoka K, Sakamoto Y, Hama T, Kajii Y, Enami S
819 - 826 Quantum Mechanical Enhancement of Rate Constants and Kinetic Isotope Effects for Water-Mediated Proton Transfer in a Model Biological System
Mazzuca JW, Schultz CP
827 - 835 Two-Component Relativistic Equation-of-Motion Coupled-Cluster Methods for Excitation Energies and Ionization Potentials of Atoms and Molecules
Akinaga Y, Nakajima T
836 - 844 Correlation Energy Extrapolation by Many-Body Expansion
Boschen JS, Theis D, Ruedenberg K, Windus TL
845 - 854 Transitions from Stable to Metastable States in the Cr2On and Cr2On-Series, n=1-14
Gutsev GL, Bozhenko KV, Gutsev LG, Utenyshev AN, Aldoshin SM
855 - 860 Multidimensional Large Amplitude Dynamics in the Pyridine-Water Complex
Mackenzie RB, Dewberry CT, Cornelius RD, Smith CJ, Leopold KR
861 - 873 Diradical and Ionic Characters of Open-Shell Singlet Molecular Systems
Nakano M, Fukuda K, Ito S, Matsui H, Nagami T, Takamuku S, Kitagawa Y, Champagne B
874 - 884 Ligand-Field-Dependent Behavior of Meta-GGA Exchange in Transition-Metal Complex Spin-State Ordering
Ioannidis EI, Kulik HJ
885 - 891 Activation Strain Analysis of S(N)2 Reactions at C, N, O, and F Centers
Kubelka J, Bickelhaupt FM
892 - 900 Anion Recognition Based on a Combination of Double-Dentate Hydrogen Bond and Double-Side Anion-pi Noncovalent Interactions
Liu YZ, Yuan K, Liu L, Yuan Z, Zhu YC