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Results: 1-7 |
Results: 7
LREO3 EPOXIDIZES, CIS-DIHYDROXYLATES, AND CLEAVES ALKENES AS WELL AS ALKENYLATES ALDEHYDES - TOWARD AN UNDERSTANDING OF WHY
Authors: PIETSCH MA RUSSO TV MURPHY RB MARTIN RL RAPPE AK
Citation: Ma. Pietsch et al., LREO3 EPOXIDIZES, CIS-DIHYDROXYLATES, AND CLEAVES ALKENES AS WELL AS ALKENYLATES ALDEHYDES - TOWARD AN UNDERSTANDING OF WHY, Organometallics, 17(13), 1998, pp. 2716-2719
SOLVATION FREE-ENERGY CALCULATIONS USING A CONTINUUM DIELECTRIC MODELFOR THE SOLVENT AND GRADIENT-CORRECTED DENSITY-FUNCTIONAL THEORY FOR THE SOLUTE
Authors: TAWA GJ MARTIN RL PRATT LR RUSSO TV
Citation: Gj. Tawa et al., SOLVATION FREE-ENERGY CALCULATIONS USING A CONTINUUM DIELECTRIC MODELFOR THE SOLVENT AND GRADIENT-CORRECTED DENSITY-FUNCTIONAL THEORY FOR THE SOLUTE, Journal of physical chemistry, 100(5), 1996, pp. 1515-1523
EFFECTIVE CORE POTENTIALS FOR DFT CALCULATIONS
Authors: RUSSO TV MARTIN RL HAY PJ
Citation: Tv. Russo et al., EFFECTIVE CORE POTENTIALS FOR DFT CALCULATIONS, Journal of physical chemistry, 99(47), 1995, pp. 17085-17087
VIBRATIONAL FREQUENCIES OF TRANSITION-METAL CHLORIDE AND OXO COMPOUNDS USING EFFECTIVE CORE POTENTIAL ANALYTIC 2ND-DERIVATIVES
Authors: RUSSO TV MARTIN RL HAY PJ RAPPE AK
Citation: Tv. Russo et al., VIBRATIONAL FREQUENCIES OF TRANSITION-METAL CHLORIDE AND OXO COMPOUNDS USING EFFECTIVE CORE POTENTIAL ANALYTIC 2ND-DERIVATIVES, The Journal of chemical physics, 102(23), 1995, pp. 9315-9321
APPLICATION OF GRADIENT-CORRECTED DENSITY-FUNCTIONAL THEORY TO THE STRUCTURES AND THERMOCHEMISTRIES OF SCF3, TIF4, VF5, AND CRF6
Authors: RUSSO TV MARTIN RL HAY PJ
Citation: Tv. Russo et al., APPLICATION OF GRADIENT-CORRECTED DENSITY-FUNCTIONAL THEORY TO THE STRUCTURES AND THERMOCHEMISTRIES OF SCF3, TIF4, VF5, AND CRF6, The Journal of chemical physics, 102(20), 1995, pp. 8023-8028
DENSITY-FUNCTIONAL CALCULATIONS ON FIRST-ROW TRANSITION-METALS
Authors: RUSSO TV MARTIN RL HAY PJ
Citation: Tv. Russo et al., DENSITY-FUNCTIONAL CALCULATIONS ON FIRST-ROW TRANSITION-METALS, The Journal of chemical physics, 101(9), 1994, pp. 7729-7737
NEW PSEUDOSPECTRAL ALGORITHMS FOR ELECTRONIC-STRUCTURE CALCULATIONS -LENGTH SCALE SEPARATION AND ANALYTICAL 2-ELECTRON INTEGRAL CORRECTIONS
Authors: GREELEY BH RUSSO TV MAINZ DT FRIESNER RA LANGLOIS JM GODDARD WA DONNELLY RE RINGNALDA MN
Citation: Bh. Greeley et al., NEW PSEUDOSPECTRAL ALGORITHMS FOR ELECTRONIC-STRUCTURE CALCULATIONS -LENGTH SCALE SEPARATION AND ANALYTICAL 2-ELECTRON INTEGRAL CORRECTIONS, The Journal of chemical physics, 101(5), 1994, pp. 4028-4041
Risultati: 1-7 |