화학공학소재연구정보센터

Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.112, No.27 Entire volume, number list
ISSN: 1089-5639 (Print) 

In this Issue (23 articles)

6053 - 6058 Theoretical investigation of excited states of oligothiophene anions
Alkan F, Salzner U
6059 - 6065 State-to-state dynamics analysis of the F+CHD3 reaction: A Quasiclassical trajectory study
Espinosa-Garcia J, Bravo JL
6066 - 6073 Gas phase reactions between acetylene radical cation and water. energies, structures and formation mechanism of C2H3O+ and C2H4O+center dot ions
Momoh PO, Xie E, Abrash SA, Meot-Ner M, El-Shall MS
6074 - 6078 Why does argon bind to deuterium? Isotope effects and structures of Ar center dot H5O2+ complexes
McCunn LR, Roscioli JR, Elliott BM, Johnson MA, Mccoy AB
6079 - 6089 On the use of different potential energy functions in rare-gas cluster optimization by genetic algorithms: Application to argon clusters
Marques JMC, Pereira FB, Leitao T
6090 - 6097 Unimolecular elimination of HF and HCl from chemically activated CF3CFClCH2Cl
Zaluzhna O, Simmons JG, Heard GL, Setser DW, Holmes BE
6098 - 6103 Activation parameters for the recombination reaction of intramolecular radical pairs generated from the radical diffusion-inhibited HABI derivative
Hatano S, Abe J
6104 - 6114 Ratiometric, fluorescent BODIPY dye with aza crown ether functionality: Synthesis, solvatochromism, and metal ion complex formation
Qin WW, Baruah M, Sliwa M, Van der Auweraer M, De Borggraeve WM, Beljonne D, Van Averbeke B, Boens N
6115 - 6119 Reassignment of the vibrational spectrum of benzimidazole
Tomkinson J
6120 - 6124 Shock-tube study of the thermal decomposition of CH3CHO and CH3CHO+Hreaction
Bentz T, Striebel F, Olzmann M
6125 - 6133 Ab initio molecular dynamics simulation of a medium-sized water cluster anion: From an interior to a surface-located excess electron via a delocalized state
Frigato T, VandeVondele J, Schmidt B, Schutte C, Jungwirth P
6134 - 6149 Simple quantitative structure-property relationship (QSPR) Modeling of O-17 carbonyl chemical shifts in substituted benzaldehydes compared to DFT and empirical approaches
Kiralj R, Ferreira MAC
6150 - 6158 Hydrogen-bonding interactions in cinchonidine-2-methyl-2-hexenoic acid complexes: A combined spectroscopic and theoretical study
Meier DM, Urakawa A, Turra N, Ruegger H, Baiker A
6159 - 6170 Electronic structure of the water dimer cation
Pieniazek PA, VandeVondele J, Jungwirth P, Krylov AI, Bradforth SE
6171 - 6178 Influence of structure on electron correlation effects and electron-water dispersion interactions in anionic water clusters
Williams CF, Herbert JM
6179 - 6189 Contributions of the 8-methyl group to the vibrational normal modes of flavin mononucleotide and its 5-methyl semiquinone radical
Eisenberg AS, Schelvis JPM
6190 - 6197 Formation of C7H7+ from benzyl chloride and chlorotoluene molecular ions: A theoretical study
Choe JC
6198 - 6204 Gaussian-3 study of the thermochemistry of the germane and its fluoro chloro derivatives
Duchowicz PR, Cobos CJ
6205 - 6210 Nature of the ferromagnetic behavior and possible occurrence of the ferrimagnetic phase transition in genuinely organic molecule-based assemblages with an S=1 and S=1/2 antiferromagnetic alternating spin chain: A Green's function approach
Fu HH, Yao KL, Liu ZL
6211 - 6216 Preparation and properties of trifluorothioacetic acid-S-(trifluoromethyl)ester, CF3C(O)SCF3
Ulic SE, Della Vedova CO, Hermann A, Mack HG, Oberhammer H
6217 - 6226 Electron attachment to the hydrogenated Watson-Crick guanine cytosine base pair (GC+H): Conventional and proton-transferred structures
Zhang JD, Chen ZF, Schaefer HF
6227 - 6234 Bifurcate hydrogen bonds interaction of intramolecularly H-bonded systems with Lewis bases
Sidorkin VF, Doronina EP, Chipanina NN, Aksamentova TN, Shainyan BA
6235 - 6235 Oligothiophene dendrimers as new building blocks for optical applications (vol 112, pg 2018, 2008)
Ramakrishna G, Bhaskar A, Bauerle P, Ma CQ, Goodson TG