화학공학소재연구정보센터

Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.102, No.14 Entire volume, number list
ISSN: 1089-5639 (Print) 

In this Issue (12 articles)

2399 - 2407 Molecular and atomic polarizabilities : Thole's model revisited
van Duijnen PT, Swart M
2408 - 2414 Isomeric C-24(center dot+) carbon cluster ions derived from perchlorocoronene. Reactions of carbon-cluster ions with pyridine
Sun J, Caltapanides S, Grutzmacher HF
2415 - 2423 Magnetic circular dichroism and absorption spectra of the NH radical in an argon matrix
Langford VS, Williamson BE
2424 - 2438 Interpolated variational transition-state theory by mapping
Corchado JC, Coitino EL, Chuang YY, Fast PL, Truhlar DG
2439 - 2442 Density functional study of addition of fluoromethyl radicals to fluoroethylenes : Estimation of activation energies
Korchowiec J, Uchimaru T
2443 - 2448 Theoretical studies of Ag-Ag closed-shell interaction in the silver(I) dimer bis-mu-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine) dinitrato disilver(I) : A RHF and density functional study
El-Bahraoui J, Molina JM, Olea DP
2449 - 2454 Predicting the proton affinities of H2O and NH3
Peterson KA, Xantheas SS, Dixon DA, Dunning TH
2455 - 2465 Analytical potentials for HF dimer and larger HF clusters from ab initio calculations
Hodges MP, Stone AJ, Lago EC
2466 - 2471 Vibrational analysis and isotope shifts of BEDT-TTF donor for organic superconductors
Demiralp E, Goddard WA
2472 - 2482 Influence of crystal packing on molecular geometry : A crystallographic and theoretical investigation of selected diorganotin systems
Buntine MA, Hall VJ, Kosovel FJ, Tiekink ERT
2483 - 2492 Ab initio calibration study of the heat of formation, geometry, and anharmonic force field of fluoroacetylene
Persson BJ, Taylor PR, Martin JML
2493 - 2499 Ab initio calculations of the C-13 NMR spectrum of 2-propyl cations in ion pairs
Farcasiu D, Hancu D, Haw JF