Journal of Physical Chemistry.1998, V 102, N 7, Feb 12.
ISSN 0022-3654
MOLECULAR DYNAMICS SIMULATION OF LI(+)BF4(-) IN ETHYLENE CARBONATE,
PROPYLENE CARBONATE, AND DIMETHYL CARBONATE SOLVENTS.
Soetens JC; Millot C; Maigret B. pp 1055-1061
ULTRAFAST CHARGE-TRANSFER DYNAMICS - STUDIES OF P-NITROANILINE IN WATER
AND DIOXANE.
Thomsen CL; Thogersen J; Keiding SR. pp 1062-1067
SHORT-TIME DYNAMICS OF VIBRATIONAL RELAXATION IN MOLECULAR FLUIDS.
Ladanyi BM; Stratt RM. pp 1068-1082
REVERSIBLE PHOTOINITIATED ISOMERIZATION REACTION OF BROBR TO BRBRO - A
COMBINED MATRIX ISOLATION AND AB INITIO STUDY.
Kolm J; Schrems O; Beichert P. pp 1083-1089
PROTON TUNNELING IN THE LOSS OF HYDROGEN BROMIDE FROM ENERGY-SELECTED
GAS-PHASE 2-BROMOBUTANE CATIONS.
Keister JW; Baer T; Thissen R; Alcaraz C; Dutuit O; Audier H; Troude V.
pp 1090-1097
PHOTODISSOCIATION OF ICI MOLECULE ORIENTED BY AN INTENSE ELECTRIC FIELD -
EXPERIMENT AND THEORETICAL ANALYSIS.
Bazalgette G; White R; Trenec G; Audouard E; Buchner M; Vigue J.
pp 1098-1105
HYSTERESIS IN THE TEMPERATURE DEPENDENCE OF PHOSPHORESCENCE OF
4-HYDROXY-3-METHOXYBENZALDEHYDE (VANILLIN) IN ETHANOL.
Nishigaki A; Nagashima U; Uchida A; Oonishi I; Ohshima S. pp 1106-1111
CHARACTERIZATION OF ORIENTED MOLECULE BEAMS BY RADIO FREQUENCY
SPECTROSCOPY.
Wiediger SD; Harland PW; Holte JR; Brooks PR. pp 1112-1118
CATION AFFINITIES OF [1(6)]STARAND MODEL - COMPARISON WITH 12-CROWN-4 -
CRUCIAL ROLE OF DIPOLAR MOIETY ORIENTATIONS.
Cui CZ; Cho SJ; Kim KS. pp 1119-1123
REACTIONS OF SODIUM CLUSTERS WITH WATER CLUSTERS.
Bewig L; Buck U; Rakowsky S; Reymann M; Steinbach C. pp 1124-1129
THE CONFORMATIONAL DISTRIBUTIONS AND INTERCONVERSIONS OF PARTIALLY
METHYLATED CALIX[4]ARENES.
Vanhoorn WP; Morshuis MGH; Vanveggel FCJM; Reinhoudt DN. pp 1130-1138
INFRARED AND RAMAN SPECTROSCOPY OF 9,9'-SPIROBIFLUORENE,
BIS(2,2'-BIPHENYLENE)SILANE, AND BIS(2,2'-BIPHENYLENE)GERMANE -
VIBRATIONAL ASSIGNMENT BY DEPOLARIZATION MEASUREMENT AND HF AND DENSITY
FUNCTIONAL THEORY STUDIES.
Boo BH; Park J; Yeo HG; Lee SY; Park CJ; Kim JH. pp 1139-1145
APPLICATION OF SQMFF VIBRATIONAL CALCULATIONS TO TRANSITION STATES - DFT
AND AB INITIO STUDY OF THE KINETICS OF METHYL AZIDE AND ETHYL AZIDE
THERMOLYSIS.
Arenas JF; Otero JC; Sanchezgalvez A; Soto J; Viruela P. pp 1146-1151
ATMOSPHERIC CHEMISTRY OF CF3CH2OCH2CF3 - UV SPECTRA AND KINETIC DATA FOR
CF3CH(CENTER-DOT)OCH2CF3 AND CF3CH(OO-CENTER-DOT)OCH2CF3 RADICALS AND
ATMOSPHERIC FATE OF CF3CH(O-CENTER-DOT)OCH2CF3 RADICALS.
Wallington TJ; Guschin A; Stein TNN; Platz J; Sehested J; Christensen LK;
Nielsen OJ. pp 1152-1161
EXPERIMENTAL AND THEORETICAL STUDIES OF DOUBLE MINIMA IN THE
POTENTIAL-ENERGY SURFACES FOR HF-ELIMINATION REACTIONS OF SIFX(OH)(Y)(+)
WITH H2O (X = 1-3, Y = 0-2) VIA INTRAMOLECULAR H-ATOM TRANSFER.
Ketvirtis AE; Baranov YI; Hopkinson AC; Bohme DK. pp 1162-1169
AB INITIO STUDIES ON THE STRUCTURES AND VIBRATIONAL FREQUENCIES OF RARE
EARTH FLUORIDES LNF(N) (LN = ER, TM N = 1, 2, 3) AND THEIR POSITIVE IONS
AND AN ASSESSMENT OF THEIR IONIZATION AND DISSOCIATION ENERGIES.
Lesar A; Muri G; Hodoscek M. pp 1170-1176
EFFECT OF LARGE-AMPLITUDE VIBRATIONS ON THE THERMODYNAMICS OF
MALONDIALDEHYDE.
Nino A; Munozcaro C. pp 1177-1180
H-2 NMR INVESTIGATIONS OF THE HEXADECANE/UREA INCLUSION COMPOUND.
Schmider J; Muller K. pp 1181-1193
THEORETICAL STUDY ON THE REACTION PATH AND VARIATIONAL RATE CONSTANT OF
THE REACTION HNCO+NH-]NCO+NH2.
Xu ZF; Sun JZ. pp 1194-1199
UNITED ATOM FORCE FIELD FOR MOLECULAR DYNAMICS SIMULATIONS OF
1,4-POLYBUTADINE BASED ON QUANTUM CHEMISTRY CALCULATIONS ON MODEL
MOLECULES.
Smith GD; Paul W. pp 1200-1208
G2(MP2) AND G2(MP2,SVP) CALCULATIONS OF ENTHALPIES OF HYDROGENATION,
ISOMERIZATION, AND FORMATION OF C-5 HYDROCARBONS - 2 - SUBSTITUTED
CYCLOBUTENES, VINYLCYCLOPROPENE, SPIROPENTANE, AND METHYLTETRAHEDRANE.
Rogers DW; Mclafferty FJ; Podosenin AV. pp 1209-1213
ANOMALOUS CHANGE OF BOND ENERGIES IN THE CLUSTER ION N2H+(H-2)(N).
Hiraoka K; Katsuragawa J; Minamitsu A; Ignacio EW; Yamabe S. pp 1214-1218
THEORETICAL STUDY OF ALTERNATIVE RING FORMS OF ALPHA-L-FUCOPYRANOSE.
Csonka GI; Elias K; Kolossvary I; Sosa CP; Csizmadia IG. pp 1219-1229
EFFECT OF HYDROGEN BENDING ON THE VIBRATIONS OF P-BENZOSEMIQUINONE RADICAL
ANION.
Zhan CG; Chipman DM. pp 1230-1235