Journal of Physical Chemistry.
1997, V 101, N 30, Jul 24.
ISSN 0022-3654
A QUANTUM CHEMICAL VIEW OF DENSITY FUNCTIONAL THEORY. [Review]
Baerends EJ; Gritsenko OV. pp 5383-5403
CARBON-OXYGEN BOND STRENGTH IN DIPHENYL ETHER AND PHENYL VINYL ETHER - AN
EXPERIMENTAL AND COMPUTATIONAL STUDY.
Vanscheppingen W; Dorrestijn E; Arends I; Mulder P; Korth HG.
pp 5404-5411
EXCIPLEX FORMATION DYNAMICS OF PHOTOEXCITED COPPER(II)
TETRAKIS(4-N-METHYLPYRIDYL)PORPHYRIN WITH SYNTHETIC POLYNUCLEOTIDES PROBED
BY TRANSIENT ABSORPTION AND RAMAN SPECTROSCOPIC TECHNIQUES.
Jeoung SC; Eom HS; Kim D; Cho DW; Yoon M. pp 5412-5417
PHOTOPHYSICAL PROPERTIES OF C-60(C6H5)(5)CL - A LASER FLASH PHOTOLYSIS AND
PULSE RADIOLYSIS STUDY.
Palit DK; Mohan H; Birkett PR; Mittal JP. pp 5418-5422
SINGLE-CRYSTAL COBALT-59 NMR STUDY OF
TRIS(2,4-PENTANEDIONATO-O,O')COBALT(III).
Eichele K; Chan JCC; Wasylishen RE; Britten JF. pp 5423-5430
STRUCTURAL INFORMATION FROM METHYL ROTORS - METHYL TORSIONAL BARRIERS IN
P-HYDROXY-P'-METHYL-T-STILBENE AND ITS WATER COMPLEXES.
Metzger BS; Spangler LH. pp 5431-5436
TOWARD IMPROVED FORCE FIELDS .1. MULTIPOLE-DERIVED ATOMIC CHARGES.
Winn PJ; Ferenczy GG; Reynolds CA. pp 5437-5445
TOWARD IMPROVED FORCE FIELDS .2. EFFECTIVE DISTRIBUTED MULTIPOLES.
Ferenczy GG; Winn PJ; Reynolds CA. pp 5446-5455
DISPERSED OPTICAL HETERODYNE DETECTED BIREFRINGENCE AND DICHROISM OF
TRANSPARENT LIQUIDS.
Constantine S; Zhou Y; Morais J; Ziegler LD. pp 5456-5462
SOLID-STATE MO-95 NMR STUDIES OF SOME PROTOTYPAL MOLYBDENUM COMPOUNDS -
SODIUM MOLYBDATE DIHYDRATE, HEXACARBONYLMOLYBDENUM, AND PENTACARBONYL
PHOSPHINE MOLYBDENUM(0) COMPLEXES.
Eichele K; Wasylishen RE; Nelson JH. pp 5463-5468
ALTERNATIVE MECHANISMS FOR SOLVATION DYNAMICS OF LASER-INDUCED ELECTRONS
IN METHANOL.
Turi L; Holpar P; Keszei E. pp 5469-5476
ATMOSPHERIC CHEMISTRY OF CH2BRCL - KINETICS AND MECHANISM OF THE REACTION
OF F ATOMS WITH CH2BRCL AND FATE OF THE CHBRCLO-CENTER-DOT RADICAL.
Bilde M; Sehested J; Nielsen OJ; Wallington TJ. pp 5477-5488
TEMPERATURE DEPENDENCE FOR THE RATE COEFFICIENTS OF THE REACTIONS OF THE
OH RADICAL WITH A SERIES OF FORMATES.
Lecalve S; Lebras G; Mellouki A. pp 5489-5493
SINGLE-PULSE SHOCK TUBE STUDIES OF THE DECOMPOSITION OF ETHOXY COMPOUNDS.
Herzler J; Manion JA; Tsang W. pp 5494-5499
SINGLE-PULSE SHOCK TUBE STUDY OF THE DECOMPOSITION OF TETRAETHOXYSILANE
AND RELATED COMPOUNDS.
Herzler J; Manion JA; Tsang W. pp 5500-5508
MECHANISM OF QUENCHING OF TRIPLET STATES BY OXYGEN - BIPHENYL DERIVATIVES
IN ACETONITRILE.
Wilkinson F; Abdelshafi AA. pp 5509-5516
KINETICS OF THE IO RADICAL .1. REACTION OF IO WITH CLO.
Turnipseed AA; Gilles MK; Burkholder JB; Ravishankara AR. pp 5517-5525
KINETICS OF THE IO RADICAL .2. REACTION OF IO WITH BRO.
Gilles MK; Turnipseed AA; Burkholder JB; Ravishankara AR; Solomon S.
pp 5526-5534
ELECTRON TRANSFER REACTIONS OF RADICAL CATION AND ANION OF
(R)-(-)-1,1'-BINAPHTHYL-2,2'-DIYL HYDROGEN PHOSPHATE IN AQUEOUS SOLUTION -
A PULSE RADIOLYSIS STUDY.
Shoute LCT. pp 5535-5542
RATE CONSTANTS FOR THE GAS PHASE REACTION OF CHLORIDE ION WITH METHYL
BROMIDE OVER THE PRESSURE RANGE 300 TO 1100 TORR.
Sahlstrom KE; Knighton WB; Grimsrud EP. pp 5543-5546
CHEMICAL BOND ANALYSIS OF NONLINEARITY OF UREA CRYSTAL.
Xue DF; Zhang SY. pp 5547-5550
CHARACTERISTICS OF THE LINC60 COMPLEXES FOR N=1-6 AND 12 - AN AB INITIO
STUDY.
Aree T; Hannongbua S. pp 5551-5554
DENSITY FUNCTIONAL CALCULATIONS OF STRUCTURES, VIBRATIONAL FREQUENCIES,
AND NORMAL MODES OF TRANS- AND CIS-AZOBENZENE.
Biswas N; Umapathy S. pp 5555-5566
STRENGTH OF SPIN COUPLING IN HIGH-SPIN ORGANIC MOLECULES.
Li SH; Ma J; Jiang YS. pp 5567-5573
AB-INITIO STUDIES OF ALTERNANT X2Y2 RINGS (X=N, P, AS, AND SB AND Y=O, S,
SE, AND TE) - PLANAR VERSUS BUTTERFLY STRUCTURES.
Mercero JM; Lopez X; Fowler JE; Ugalde JM. pp 5574-5579
QUANTUM CHEMICAL INVESTIGATION OF STRUCTURES, ROTATIONAL BARRIERS, AND
VIBRATIONAL SPECTRA OF THE ROTAMERS OF ETHYL NITRITE (CH3CH2ONO).
Suter HU; Nonella M. pp 5580-5586
ELECTRON CORRELATION AND MAGNETISM - A SIMPLE MOLECULAR ORBITAL APPROACH
FOR PREDICTING GROUND-STATE SPINS OF CONJUGATED HYDROCARBONS.
Li SH; Ma J; Jiang YS. pp 5587-5592
AN ANALYTICAL METHOD TO DETERMINE REFERENCE ORBITALS FOR LOCALIZED
FRONTIER ORBITALS (LFOS) AND ITS APPLICATION TO THE CORRELATION ANALYSIS
BETWEEN LFO ENERGIES AND ACIDITIES OF CONJUGATE CATIONS OF HETEROCYCLIC
BASES AND MONOSUBSTITUTED BENZOIC ACIDS.
Kurita Y; Takayama C. pp 5593-5595
ENERGETICS OF THE [N]PHENYLENES WITH APPLICATION TO HELICAL CONFORMERS.
Schulman JM; Disch RL. pp 5596-5599
AB INITIO STUDY OF THE INTERACTION OF RHODIUM WITH DINITROGEN AND CARBON
MONOXIDE.
Mckee ML; Worley SD. pp 5600-5603
MOLECULAR MODELING APPROACH FOR CONTRASTING THE INTERACTION OF ETHANE AND
HEXAFLUOROETHANE WITH CARBON DIOXIDE - COMMENT.
Han YK; Jeong HY. pp 5604
OSCILLATIONS IN THE BROMOMALONIC ACID BROMATE SYSTEM CATALYZED BY
[RU(BIPY)(3)](2+) - COMMENT.
Pereira JAM; Faria RB. pp 5605-5606