화학공학소재연구정보센터

Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.102, No.12 Entire volume, number list
ISSN: 1089-5639 (Print) 

In this Issue (21 articles)

2091 - 2094 New medium-size basis sets to evaluate the dispersion interaction of hydrocarbon molecules
Tsuzuki S, Uchimaru T, Mikami M, Tanabe K
2095 - 2101 van der Waals broadening of the electronic spectra of 1-azabicyclo[2.2.2]octane : Inversion into Lennard-Jones pair potentials
Halpern AM, Ramachandran BR, Tagol A
2102 - 2108 Exchange processes in disordered systems studied by solid-state 2D NMR
Vogel M, Rossler E
2109 - 2116 Two-directional photoinduced electron transfer in a trichromophoric system
Depaemelaere S, De Schryver FC, Verhoeven JW
2117 - 2130 Second-sphere and outer-sphere proton relaxation of paramagnetic complexes : From EPR to NMRD
Chen JW, Belford RL, Clarkson RB
2131 - 2136 Low-frequency vibrations of all-trans-retinal : Far-infrared and Raman spectra and density functional calculations
Gervasio FL, Cardini G, Salvi PR, Schettino V
2137 - 2154 Thermodynamic model of the system H+-NH4+-SO42--NO3--H2O at tropospheric temperatures
Clegg SL, Brimblecombe P, Wexler AS
2155 - 2171 Thermodynamic model of the system H+-NH4+-Na+-SO42--NB3--Cl--H2O at 298.15 K
Clegg SL, Brimblecombe P, Wexler AS
2172 - 2176 The periodate-glycol reaction. 4. Activation energies, equilibria, and a mechanism
Taylor JE
2177 - 2188 Properties of the experimental crystal charge density of methylammonium hydrogen maleate. A salt with a very short intramolecular O-H-O hydrogen bond
Madsen D, Flensburg C, Larsen S
2189 - 2193 Comparative ab initio study of molecular structures and relative stabilities of germanone, germathione, germaselenone, and their structural isomers
Nowek A, Sims R, Babinec P, Leszczynski J
2194 - 2200 Prototropic equilibria in 4-thiouracil : A combined spectroscopic and ab initio SCF-MO investigation
Rubin YV, Morozov Y, Venkateswarlu D, Leszczynski J
2201 - 2208 Ab initio study of potassium ion clusters of methanol and acetonitrile and a systematic comparison with hydrated clusters
Islam MS, Pethrick RA, Pugh D
2209 - 2214 Study of the stability of BrClO3 isomers
Francisco JS, Clark J
2215 - 2222 Locality and sparsity of ab initio one-particle density matrices and localized orbitals
Maslen PE, Ochsenfeld C, White CA, Lee MS, Head-Gordon M
2223 - 2230 On the electronic structure of NLi2 and PLi2, ground and low-lying excited states
Tzeli D, Papakondylis A, Mavridis A
2231 - 2236 CO2-fluorocarbon and CO2-hydrocarbon interactions from first-principles calculations
Diep P, Jordan KD, Johnson JK, Beekman EJ
2237 - 2245 Radical addition to alkenes : Further assessment of theoretical procedures
Wong MW, Radom L
2246 - 2251 Ab initio geometry determinations of proteins. 1. Crambin
Van Alsenoy C, Yu CH, Peeters A, Martin JML, Schafer L
2252 - 2252 Solvent and solvent density effects on the spectral shifts and the bandwidths of the absorption and the resonance raman spectra of phenol blue (vol 101A, pg 9056, 1997)
Yamaguchi T, Kimura Y, HIrota N
2252 - 2252 On the reactivity of Ti+(F-4,F-2) : Reaction of Ti+ with OH2 (vol 102A, pg 293, 1998)
Irigoras A, Fowler JE, Ugalde JM