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Results: 26-47/47
Authors:
CURTISS LA
REDFERN PC
SMITH BJ
RADOM L
Citation: La. Curtiss et al., GAUSSIAN-2 (G2) THEORY - REDUCED BASIS-SET REQUIREMENTS, The Journal of chemical physics, 104(13), 1996, pp. 5148-5152
Authors:
PAULSON BP
CURTISS LA
BAL B
CLOSS GL
MILLER JR
Citation: Bp. Paulson et al., INVESTIGATION OF THROUGH-BOND COUPLING DEPENDENCE ON SPACER STRUCTURE, Journal of the American Chemical Society, 118(2), 1996, pp. 378-387
Authors:
CURTISS LA
NALEWAY CA
MILLER JR
Citation: La. Curtiss et al., SUPEREXCHANGE PATHWAY CALCULATION OF ELECTRONIC COUPLING THROUGH CYCLOHEXANE SPACERS, Journal of physical chemistry, 99(4), 1995, pp. 1182-1193
Authors:
SUTJIANTO A
TAM SW
PANDEY R
CURTISS LA
JOHNSON CE
Citation: A. Sutjianto et al., AB-INITIO CALCULATIONS FOR DISSOCIATIVE HYDROGEN ADSORPTION ON LITHIUM-OXIDE SURFACES, Journal of nuclear materials, 219, 1995, pp. 250-258
Authors:
OHARE PAG
CURTISS LA
Citation: Pag. Ohare et La. Curtiss, THERMOCHEMISTRY OF (GERMANIUM PLUS SULFUR) .4. CRITICAL-EVALUATION OFTHE THERMODYNAMIC PROPERTIES OF SOLID AND GASEOUS GERMANIUM(II) SULFIDE GES AND GERMANIUM(IV) DISULFIDE GES2, AND DIGERMANIUM DISULFIDE GE2S2(G) - ENTHALPIES OF DISSOCIATION OF BONDS IN GES(G), GES2(G), AND GE2S2(G), Journal of Chemical Thermodynamics, 27(6), 1995, pp. 643-662
Authors:
CURTISS LA
MCGRATH MP
BLAUDEAU JP
DAVIS NE
BINNING RC
RADOM L
Citation: La. Curtiss et al., EXTENSION OF GAUSSIAN-2 THEORY TO MOLECULES CONTAINING 3RD-ROW ATOMS GA-KR, The Journal of chemical physics, 103(14), 1995, pp. 6104-6113
Authors:
CURTISS LA
RAGHAVACHARI K
POPLE JA
Citation: La. Curtiss et al., GAUSSIAN-2 THEORY - USE OF HIGHER-LEVEL CORRELATION METHODS, QUADRATIC CONFIGURATION-INTERACTION GEOMETRIES, AND 2ND-ORDER MOLLER-PLESSET ZERO-POINT ENERGIES, The Journal of chemical physics, 103(10), 1995, pp. 4192-4200
Authors:
CURTISS LA
LUCAS DJ
POPLE JA
Citation: La. Curtiss et al., ENERGIES OF C2H5O AND C2H5O+ ISOMERS, The Journal of chemical physics, 102(8), 1995, pp. 3292-3300
Authors:
TAKAHASHI S
CURTISS LA
GOSZTOLA D
KOURA N
SABOUNGI ML
Citation: S. Takahashi et al., MOLECULAR-ORBITAL CALCULATIONS AND RAMAN MEASUREMENTS FOR 1-ETHYL-3-METHYLIMIDAZOLIUM CHLOROALUMINATES, Inorganic chemistry, 34(11), 1995, pp. 2990-2993
Authors:
NAGY Z
BLAUDEAU JP
HUNG NC
CURTISS LA
ZURAWSKI DJ
Citation: Z. Nagy et al., CHLORIDE-ION CATALYSIS OF THE COPPER DEPOSITION REACTION, Journal of the Electrochemical Society, 142(6), 1995, pp. 87-89
Authors:
HORNER DA
CURTISS LA
DIETER DM
Citation: Da. Horner et al., A THEORETICAL-STUDY OF THE ENERGETICS OF INSERTION OF DICARBON (C-2) AND VINYLIDENE INTO METHANE C-H BONDS, Chemical physics letters, 233(3), 1995, pp. 243-248
Authors:
ZYGMUNT SA
BRAND HV
LUCAS DJ
ITON LE
CURTISS LA
Citation: Sa. Zygmunt et al., THEORETICAL-STUDIES OF HYDROGEN-BONDED COMPLEXES OF H3SIO(H)ALH3 WITHOH2, NH3, AND CH4, Journal of molecular structure. Theochem, 120(1-2), 1994, pp. 113-123
Authors:
ALVARENGA AD
SABOUNGI ML
CURTISS LA
GRIMSDITCH M
MCNEIL LE
Citation: Ad. Alvarenga et al., STRUCTURE AND DYNAMICS OF MOLTEN ALUMINUM AND GALLIUM TRIHALIDES .2. RAMAN-SPECTROSCOPY AND AB-INITIO CALCULATIONS, Molecular physics, 81(2), 1994, pp. 409-420
Authors:
BRAND HV
CURTISS LA
ITON LE
TROUW FR
BRUN TO
Citation: Hv. Brand et al., THEORETICAL AND INELASTIC NEUTRON-SCATTERING STUDIES OF TETRAETHYLAMMONIUM CATION AS A MOLECULAR-SIEVE TEMPLATE, Journal of physical chemistry, 98(4), 1994, pp. 1293-1301
Authors:
DEUTSCH PW
CURTISS LA
Citation: Pw. Deutsch et La. Curtiss, A THEORETICAL-STUDY OF TRIATOMIC CARBON SILICON MIXED CLUSTERS - RELATIVE ENERGIES AND BINDING-ENERGIES, Chemical physics letters, 226(3-4), 1994, pp. 387-391
Authors:
CURTISS LA
NALEWAY CA
MILLER JR
Citation: La. Curtiss et al., SUPEREXCHANGE PATHWAY CALCULATION OF LONG-DISTANCE ELECTRONIC COUPLING IN H2C(CH2)M-2CH2 CHAINS, Chemical physics, 176(2-3), 1993, pp. 387-405
Authors:
ZYGMUNT SA
CURTISS LA
ITON LE
Citation: Sa. Zygmunt et al., A THEORETICAL-STUDY OF THE OXYGEN-K ABSORPTION-EDGE IN CLUSTER-MODELSOF SODALITE, Chemical physics, 173(3), 1993, pp. 357-366
Authors:
BRAND HV
CURTISS LA
ITON LE
Citation: Hv. Brand et al., AB-INITIO MOLECULAR-ORBITAL CLUSTER STUDIES OF THE ZEOLITE ZSM-5 .1. PROTON AFFINITIES, Journal of physical chemistry, 97(49), 1993, pp. 12773-12782
Authors:
CURTISS LA
NALEWAY CA
MILLER JR
Citation: La. Curtiss et al., THEORETICAL-STUDY OF LONG-DISTANCE ELECTRONIC COUPLING IN H2C(CH2)N-2CH2 CHAINS, N = 3-16, Journal of physical chemistry, 97(16), 1993, pp. 4050-4058
Authors:
LUCAS DJ
CURTISS LA
POPLE JA
Citation: Dj. Lucas et al., THEORETICAL-STUDY OF THE SILICON OXYGEN HYDRIDES SIOH(N) (N=0-4) AND SIOH(N)-5) - DISSOCIATION-ENERGIES, IONIZATION ENERGIES, ENTHALPIES OFFORMATION, AND PROTON AFFINITIES( (N=0), The Journal of chemical physics, 99(9), 1993, pp. 6697-6703
Authors:
CURTISS LA
RAGHAVACHARI K
POPLE JA
Citation: La. Curtiss et al., THE ACCURATE DETERMINATION OF ENTHALPIES OF FORMATION, Chemical physics letters, 214(2), 1993, pp. 183-185
Authors:
CURTISS LA
SCHOLZ G
Citation: La. Curtiss et G. Scholz, THE VAPOR-PHASE COMPLEX HF-ALF3 - A NEW ABINITIO MOLECULAR-ORBITAL STUDY, Chemical physics letters, 205(6), 1993, pp. 550-554