화학공학소재연구정보센터

Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.111, No.14 Entire volume, number list
ISSN: 1089-5639 (Print) 

In this Issue (21 articles)

2641 - 2649 How the central torsion angle affects the rates of nonradiative decay in some geometrically restricted p-quaterphenyls
Allen BD, Benniston AC, Harriman A, Llarena I, Sams CA
2650 - 2661 Radiationless decay mechanism of cytosine: An ab initio study with comparisons to the fluorescent analogue 5-methyl-2-pyrimidinone
Kistler KA, Matsika S
2662 - 2669 Hydrogen bonding and cation coordination effects in primary and secondary amines dissolved in carbon tetrachloride
Rocher N, Frech R
2670 - 2678 Vibrationally state-selective spin-orbit transfer with strong nonresonant pulses
Gonzalez-Vazquez J, Sola IR, Santamaria J, Malinovsky VS
2679 - 2689 Glucose and fructose hydrates in aqueous solution by IR spectroscopy
Max JJ, Chapados C
2690 - 2696 Infrared spectroscopic and theoretical studies on the reactions of copper atoms with carbon monoxide and nitric oxide molecules in rare-gas matrices
Jiang L, Xu Q
2697 - 2705 Kinetic study on disproportionations of C1 aldehydes in supercritical water: Methanol from formaldehyde and formic acid
Morooka S, Matubayasi N, Nakahara M
2706 - 2714 Theoretical and spectroscopic study of nickel(II) porphyrin derivatives
Berrios C, Cardenas-Jiron GI, Marco JF, Gutierrez C, Ureta-Zanartu MS
2715 - 2721 Interaction between tetramethylcucurbit[6]uril and some pyridine derivates
Cong H, Tao LL, Yu YH, Tao Z, Yang F, Zhao YJ, Xue SF, Lawrance GA, Wei G
2722 - 2732 The fragment molecular orbital method for geometry optimizations of polypeptides and proteins
Fedorov DG, Ishida T, Uebayasi M, Kitaura K
2733 - 2738 Electrostatic potential topography for exploring electronic reorganizations in 1,3 dipolar cycloadditions
Balanarayan P, Kavathekar R, Gadre SR
2739 - 2744 Theoretical study on photophysical properties of phenolpyridyl boron complexes
Yang GC, Su T, Shi SQ, Su ZM, Zhang H, Wang Y
2745 - 2749 A first-principles study of the electronic and structural properties of gamma-TaON
Wolff H, Bredow T, Lerch M, Schilling H, Irran E, Stork A, Dronskowski R
2750 - 2760 Interpretation of synchrotron radiation circular dichroism spectra of anionic, cationic, and zwitterionic dialanine forms
Sebek J, Gyurcsik B, Sebestik J, Kejik Z, Bednarova L, Bour P
2761 - 2771 New analytical potential energy surface for the F(P-2)+CH4 hydrogen abstraction reaction: Kinetics and dynamics
Espinosa-Garcia J, Bravo JL, Rangel C
2772 - 2777 Theoretical investigation of in-plane hydrogen-bonded complexes of ammonia with partially substituted fluorobenzenes
Singh PC, Ray M, Patwari GN
2778 - 2782 Ab initio study of structural stability of Mo-S clusters and size specific stoichiometries of magic clusters
Murugan P, Kumar V, Kawazoe Y, Ota N
2783 - 2789 Theoretical investigation of electron paramagnetic resonance spectra and local structure distortion for Mn2+ ions in CaCO3 : Mn2+ system: A simple model for Mn2+ ions in a trigonal ligand field
Lu C, Kuang XY, Tan XM, Yang X
2790 - 2796 Theoretical studies of the reaction channels on the SO2/OH/NO singlet potential energy surface
Wierzejewska M, Olbert-Majkut A
2797 - 2803 Four-membered heterocycles with a carbon-heteroatom exocyclic double bond at the 3-position: Puckering potential and thermodynamic properties
Vansteenkiste P, Van Speybroeck V, Verniest G, De Kimpe N, Waroquier M
2804 - 2810 Electronic excitations of 1,4-disilyl-substituted 1,4-disilabicycloalkanes: A MS-CASPT2 study of the influence of cage size
Sandstrom N, Piqueras MC, Ottosson H, Crespo R