Journal of Physical Chemistry. 1998, V102, N 12, Mar 19.
ISSN 0022-3654
NEW MEDIUM-SIZE BASIS SETS TO EVALUATE THE DISPERSION INTERACTION OF
HYDROCARBON MOLECULES. [Letter]
Tsuzuki S; Uchimaru T; Mikami M; Tanabe K.
pp 2091-2094
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.
pp 2095-2101
EXCHANGE PROCESSES IN DISORDERED SYSTEMS STUDIED BY SOLID-STATE 2D NMR.
Vogel M; Rossler E.
pp 2102-2108
TWO-DIRECTIONAL PHOTOINDUCED ELECTRON TRANSFER IN A TRICHROMOPHORIC
SYSTEM.
Depaemelaere S; Deschryver FC; Verhoeven JW.
pp 2109-2116
SECOND-SPHERE AND OUTER-SPHERE PROTON RELAXATION OF PARAMAGNETIC COMPLEXES
- FROM EPR TO NMRD.
Chen JW; Belford RL; Clarkson RB.
pp 2117-2130
LOW-FREQUENCY VIBRATIONS OF ALL-TRANS-RETINAL - FAR-INFRARED AND RAMAN
SPECTRA AND DENSITY FUNCTIONAL CALCULATIONS.
Gervasio FL; Cardini G; Salvi PR; Schettino V.
pp 2131-2136
THERMODYNAMIC MODEL OF THE SYSTEM H+-NH4+-SO42--NO3--H2O AT TROPOSPHERIC
TEMPERATURES.
Clegg SL; Brimblecombe P; Wexler AS.
pp 2137-2154
THERMODYNAMIC MODEL OF THE SYSTEM H+-NH4+-NA+-SO42--NB3--CL--H2O AT 298.15 K.
Clegg SL; Brimblecombe P; Wexler AS.
pp 2155-2171
THE PERIODATE-GLYCOL REACTION - 4 - ACTIVATION ENERGIES, EQUILIBRIA, AND A
MECHANISM.
Taylor JE.
pp 2172-2176
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.
pp 2177-2188
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.
pp 2189-2193
PROTOTROPIC EQUILIBRIA IN 4-THIOURACIL - A COMBINED SPECTROSCOPIC AND AB
INITIO SCF-MO INVESTIGATION.
Rubin YV; Morozov Y; Venkateswarlu D; Leszczynski J.
pp 2194-2200
AB INITIO STUDY OF POTASSIUM ION CLUSTERS OF METHANOL AND ACETONITRILE AND
A SYSTEMATIC COMPARISON WITH HYDRATED CLUSTERS.
Islam MS; Pethrick RA; Pugh D.
pp 2201-2208
STUDY OF THE STABILITY OF BRCLO3 ISOMERS.
Francisco JS; Clark J.
pp 2209-2214
LOCALITY AND SPARSITY OF AB INITIO ONE-PARTICLE DENSITY MATRICES AND
LOCALIZED ORBITALS.
Maslen PE; Ochsenfeld C; White CA; Lee MS; Headgordon M.
pp 2215-2222
ON THE ELECTRONIC STRUCTURE OF NLI2 AND PLI2, GROUND AND LOW-LYING EXCITED
STATES.
Tzeli D; Papakondylis A; Mavridis A.
pp 2223-2230
CO2-FLUOROCARBON AND CO2-HYDROCARBON INTERACTIONS FROM FIRST-PRINCIPLES
CALCULATIONS.
Diep P; Jordan KD; Johnson JK; Beekman EJ.
pp 2231-2236
RADICAL ADDITION TO ALKENES - FURTHER ASSESSMENT OF THEORETICAL
PROCEDURES.
Wong MW; Radom L.
pp 2237-2245
AB INITIO GEOMETRY DETERMINATIONS OF PROTEINS - 1 - CRAMBIN.
Vanalsenoy C; Yu CH; Peeters A; Martin JML; Schafer L.
pp 2246-2251
ON THE REACTIVITY OF TI+(F-4,F-2) - REACTION OF TI+ WITH OH2 (VOL 102A, PG
293, 1998). [Correction, Addition]
Irigoras A; Fowler JE; Ugalde JM.
pp 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). [Correction, Addition]
Yamaguchi T; Kimura Y; Hirota N.
pp 2252