Energy corrected sudden calculations of linewidths and line shapes based on coupled states cross sections: The test case of CO2–argon

Thibault, F.; Boissoles, J.; Boulet, C.; Ozanne, L.; Bouanich, J. P.; Roche, C. F.; Hutson, J. M.

doi:10.1063/1.477187

Reactions of unsaturated hydrocarbons with small boranes: New insights and recent advances (1998)
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Greatrex, R., & Fox, M. A. (1998). Reactions of unsaturated hydrocarbons with small boranes: New insights and recent advances. In J. Casanova (Ed.), Borane, Carborane, Carbocation Continuum (289-305)

The borane-carborane structural pattern: Some correlations and implications (1998)
Book Chapter
Greatrex, R., & Fox, M. (1998). The borane-carborane structural pattern: Some correlations and implications. In J. Casanova (Ed.), The Borane, Carborane, Carbocation Continuum (57-84)

Structures for Monodisperse Oligoamides. A Novel Structure for Unfolded Three-Amide Nylon 6 and Relationship with a Three-Amide Nylon 6 6 (1998)
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Transmission of electronic effects by icosahedral carboranes: skeletal carbon-13 chemical shifts and ultraviolet-visible spectra of substituted aryl-p-carboranes (1,12-dicarba-closo-dodecaboranes) (1998)
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Wade, K., Fox, M., McBride, J., & Peace, R. (1998). Transmission of electronic effects by icosahedral carboranes: skeletal carbon-13 chemical shifts and ultraviolet-visible spectra of substituted aryl-p-carboranes (1,12-dicarba-closo-dodecaboranes). Dalton Transactions, 1998(3), 401-411

Temperature-Induced Changes in Lamellar Crystals of Monodisperse Nylon 6 and Nylon 6 6 Oligoamides (1998)
Journal Article
Cooper, S., Atkins, E., & Hill, M. (1998). Temperature-Induced Changes in Lamellar Crystals of Monodisperse Nylon 6 and Nylon 6 6 Oligoamides. Macromolecules, 31, 8947-8956

A New Mechanism for Nucleation beneath Monolayer Films? (1998)
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Cooper, S., Sessions, R., & Lubetkin, S. (1998). A New Mechanism for Nucleation beneath Monolayer Films?. Journal of the American Chemical Society, 120, 2090-2098

New 1,3-dithiol-2-ylidene donor-pi-acceptor chromophores with intramolecular charge-transfer properties, and related donor-pi-donor molecules: synthesis, electrochemistry, X-ray crystal structures, non-linear optical properties and theoretical calculation (1998)
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Bryce, M., Moore, A., Batsanov, A., & Green, A. (1998). New 1,3-dithiol-2-ylidene donor-pi-acceptor chromophores with intramolecular charge-transfer properties, and related donor-pi-donor molecules: synthesis, electrochemistry, X-ray crystal structures, non-linear optical properties and theoretical calculation. Journal of materials chemistry, 8(5), 1173-1184

Molecular dynamics simulation of liquid crystal phases using atomistic potentials (1998)
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Wilson, M., McBride, C., & Howard, J. (1998). Molecular dynamics simulation of liquid crystal phases using atomistic potentials. Molecular Physics, 93(6), 955-964

Molecular structures of 1,12-B12H10(CO)(2) and its dihydrate 1,12-B12H10[C(OH)(2)](2) - a novel bis-carbene complex (1998)
Journal Article
Fox, M. (1998). Molecular structures of 1,12-B12H10(CO)(2) and its dihydrate 1,12-B12H10[C(OH)(2)](2) - a novel bis-carbene complex. Chemical Communications, 2487-2488

2,4-Ethanotetraborane derivatives. 3. Determination of the molecular structure of 2,4-(t-butylethano)tetraborane(10), 2,4-((BuCHCH2)-C-t)B4H8, in the gas phase by electron diffraction (1998)
Journal Article
Fox, M. (1998). 2,4-Ethanotetraborane derivatives. 3. Determination of the molecular structure of 2,4-(t-butylethano)tetraborane(10), 2,4-((BuCHCH2)-C-t)B4H8, in the gas phase by electron diffraction. Journal of Molecular Structure, 445(1-3), 319-334

Studies on tetraborane(8) carbonyl, B4H8.CO: its isomeric composition in the gas phase and in solution, and its reactions with alkenes (1998)
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Fox, M. (1998). Studies on tetraborane(8) carbonyl, B4H8.CO: its isomeric composition in the gas phase and in solution, and its reactions with alkenes. Journal of Organometallic Chemistry, 550(1-2), 207-212

Gas-phase reaction of tetraborane(10) and ethyne: Molecular structure of nido-1,2-C2B3H7 in the gas phase (1998)
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Fox, M. (1998). Gas-phase reaction of tetraborane(10) and ethyne: Molecular structure of nido-1,2-C2B3H7 in the gas phase. Inorganic Chemistry, 37(9), 2166-2176

Six-vertex nido-carborane structures with unusual CHB bridges or endo-CH hydrogens (1998)
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Fox, M. (1998). Six-vertex nido-carborane structures with unusual CHB bridges or endo-CH hydrogens. Journal of Organometallic Chemistry, 550(1-2), 331-340

Molybdenum(II)- and tungsten(II)-catalyzed allylic substitution (1998)
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Malkov, A., Baxendale, I., Mansfield, D., & Kocovsky, P. (1998). Molybdenum(II)- and tungsten(II)-catalyzed allylic substitution

Synthesis and structure of bismuth copper vanadate, BiCu2VO6 (1998)
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Radosavljevic, I., Evans, J., & Sleight, A. (1998). Synthesis and structure of bismuth copper vanadate, BiCu2VO6. Journal of Solid State Chemistry, 141(1), 149-154. https://doi.org/10.1006/jssc.1998.7931

Synthesis and structure of pyrochlore-type bismuth titanate (1998)
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Radosavljevic, I., Evans, J., & Sleight, A. (1998). Synthesis and structure of pyrochlore-type bismuth titanate. Journal of Solid State Chemistry, 136(1), 63-66. https://doi.org/10.1006/jssc.1997.7655

Oxidation of [Li-4\(NBut)(3)S\(2)]: a new route to sulfur triimides (1998)
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Fleischer, R., Freitag, S., & Stalke, D. (1998). Oxidation of [Li-4\(NBut)(3)S\(2)]: a new route to sulfur triimides. Dalton Transactions, 193-197. https://doi.org/10.1039/a707085c

Structural studies of binding site tryptophan mutants in the high-affinity streptavidin-biotin complex (1998)
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Freitag, S., Le Trong, I., Chilkoti, A., Klumb, L., Stayton, P., & Stenkamp, R. (1998). Structural studies of binding site tryptophan mutants in the high-affinity streptavidin-biotin complex. Journal of Molecular Biology, 279(1), 211-221. https://doi.org/10.1006/jmbi.1998.1735

Selective catalytic oxidation of alcohols by a ruthenium-copper bifunctional system using molecular oxygen (1998)
Journal Article
Coleman, K., Lorber, C., & Osborn, J. (1998). Selective catalytic oxidation of alcohols by a ruthenium-copper bifunctional system using molecular oxygen. European Journal of Inorganic Chemistry, 1673-1675

The oxidation of allylic and benzylic alcohols to aldehydes can be carried out at room temperature with molecular oxygen, in the presence of the bifunctional ruthenium-copper system (nPr(4)N)(RuO4)-CuCl acting as the catalyst.

Energy corrected sudden calculations of linewidths and line shapes based on coupled states cross sections: The test case of CO2–argon (1998)
Journal Article
Thibault, F., Boissoles, J., Boulet, C., Ozanne, L., Bouanich, J. P., Roche, C. F., & Hutson, J. M. (1998). Energy corrected sudden calculations of linewidths and line shapes based on coupled states cross sections: The test case of CO2–argon. The Journal of Chemical Physics, 109(15), 6338-6345. https://doi.org/10.1063/1.477187

The accuracy of the energy-corrected sudden (ECS) formalism for line shape calculations is investigated, using coupled states calculation for CO2–Ar collisions on the recently developed “single repulsion” potential of Hutson et al. [J. Chem. Phys. 10... Read More about Energy corrected sudden calculations of linewidths and line shapes based on coupled states cross sections: The test case of CO2–argon.

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