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Results: 1-10 |
Results: 10
AB-INITIO MODELING OF THE ENDOHEDRAL REACTIVITY OF POLYOXOMETALATES -2 - ELECTROSTATIC POTENTIAL DISTRIBUTIONS IN ELECTRONICALLY INVERSE HOSTS
Authors: BLAUDEAU JP ROHMER MM BENARD M GHERMANI NE
Citation: Jp. Blaudeau et al., AB-INITIO MODELING OF THE ENDOHEDRAL REACTIVITY OF POLYOXOMETALATES -2 - ELECTROSTATIC POTENTIAL DISTRIBUTIONS IN ELECTRONICALLY INVERSE HOSTS, COMPTES RENDUS DE L ACADEMIE DES SCIENCES SERIE II FASCICULE C-CHIMIE, 1(5-6), 1998, pp. 319-332
ASSESSMENT OF MODIFIED GAUSSIAN-2 (G2) AND DENSITY-FUNCTIONAL THEORIES FOR MOLECULES CONTAINING 3RD-ROW ATOMS GA-KR
Authors: REDFERN PC BLAUDEAU JP CURTISS LA
Citation: Pc. Redfern et al., ASSESSMENT OF MODIFIED GAUSSIAN-2 (G2) AND DENSITY-FUNCTIONAL THEORIES FOR MOLECULES CONTAINING 3RD-ROW ATOMS GA-KR, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(46), 1997, pp. 8701-8705
EXTENSION OF GAUSSIAN-2 (G2) THEORY TO MOLECULES CONTAINING 3RD-ROW ATOMS K AND CA
Authors: BLAUDEAU JP MCGRATH MP CURTISS LA RADOM L
Citation: Jp. Blaudeau et al., EXTENSION OF GAUSSIAN-2 (G2) THEORY TO MOLECULES CONTAINING 3RD-ROW ATOMS K AND CA, The Journal of chemical physics, 107(13), 1997, pp. 5016-5021
THEORETICAL PREDICTION OF THE SPIN-ORBIT-SPLITTING IN THE NCO, NCS, HCCO AND HCCS RADICALS
Authors: SZALAY PG BLAUDEAU JP
Citation: Pg. Szalay et Jp. Blaudeau, THEORETICAL PREDICTION OF THE SPIN-ORBIT-SPLITTING IN THE NCO, NCS, HCCO AND HCCS RADICALS, The Journal of chemical physics, 106(1), 1997, pp. 436-437
OPTIMIZED GAUSSIAN-BASIS SETS FOR USE WITH RELATIVISTIC EFFECTIVE (CORE) POTENTIALS - K, CA, GA-KR
Authors: BLAUDEAU JP CURTISS LA
Citation: Jp. Blaudeau et La. Curtiss, OPTIMIZED GAUSSIAN-BASIS SETS FOR USE WITH RELATIVISTIC EFFECTIVE (CORE) POTENTIALS - K, CA, GA-KR, International journal of quantum chemistry, 61(6), 1997, pp. 943-952
BINDING-ENERGIES OF GERMANIUM CLUSTERS, GE-N (N=2-5)
Authors: DEUTSCH PW CURTISS LA BLAUDEAU JP
Citation: Pw. Deutsch et al., BINDING-ENERGIES OF GERMANIUM CLUSTERS, GE-N (N=2-5), Chemical physics letters, 270(5-6), 1997, pp. 413-418
EXTENSION OF GAUSSIAN-2 THEORY TO MOLECULES CONTAINING 3RD-ROW ATOMS GA-KR
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
CHLORIDE-ION CATALYSIS OF THE COPPER DEPOSITION REACTION
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
AB-INITIO CALCULATIONS OF DIRHENIUM COMPLEXES USING RELATIVISTIC EFFECTIVE CORE POTENTIALS
Authors: BLAUDEAU JP ROSS RB PITZER RM MOUGENOT P BENARD M
Citation: Jp. Blaudeau et al., AB-INITIO CALCULATIONS OF DIRHENIUM COMPLEXES USING RELATIVISTIC EFFECTIVE CORE POTENTIALS, Journal of physical chemistry, 98(29), 1994, pp. 7123-7127
AB-INITIO STUDIES OF LIGAND EFFECTS ON THE METAL-METAL BOND IN DIMOLYBDENUM COMPLEXES
Authors: BLAUDEAU JP PITZER RM
Citation: Jp. Blaudeau et Rm. Pitzer, AB-INITIO STUDIES OF LIGAND EFFECTS ON THE METAL-METAL BOND IN DIMOLYBDENUM COMPLEXES, Journal of physical chemistry, 98(17), 1994, pp. 4575-4579
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