ACNP - Italian Periodicals Catalogue

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Results: 1-12 |

Results: 12

Calculation of optical rotation using density functional theory

Authors: Stephens, PJ Devlin, FJ Cheeseman, JR Frisch, MJ

Citation: Pj. Stephens et al., Calculation of optical rotation using density functional theory, J PHYS CH A, 105(22), 2001, pp. 5356-5371

Determination of absolute configuration using vibrational circular dichroism spectroscopy: the chiral sulfoxide 1-thiochroman S-oxide

Authors: Devlin, FJ Stephens, PJ Scafato, P Superchi, S Rosini, C

Citation: Fj. Devlin et al., Determination of absolute configuration using vibrational circular dichroism spectroscopy: the chiral sulfoxide 1-thiochroman S-oxide, TETRAHEDR-A, 12(11), 2001, pp. 1551-1558

Determination of absolute configuration using vibrational circular dichroism spectroscopy: The chiral sulfoxide 1-(2-methylnaphthyl) methyl sulfoxide

Authors: Stephens, PJ Aamouche, A Devlin, FJ Superchi, S Donnoli, MI Rosini, C

Citation: Pj. Stephens et al., Determination of absolute configuration using vibrational circular dichroism spectroscopy: The chiral sulfoxide 1-(2-methylnaphthyl) methyl sulfoxide, J ORG CHEM, 66(11), 2001, pp. 3671-3677

Hartree-Fock and density functional theory ab initio calculation of optical rotation using GIAOs: Basis set dependence

Authors: Cheeseman, JR Frisch, MJ Devlin, FJ Stephens, PJ

Citation: Jr. Cheeseman et al., Hartree-Fock and density functional theory ab initio calculation of optical rotation using GIAOs: Basis set dependence, J PHYS CH A, 104(5), 2000, pp. 1039-1046

Prediction of optical rotation using density functional theory: 6,8-dioxabicyclo[3.2.1]octanes

Authors: Stephens, PJ Devlin, FJ Cheeseman, JR Frisch, MJ Mennucci, B Tomasi, J

Citation: Pj. Stephens et al., Prediction of optical rotation using density functional theory: 6,8-dioxabicyclo[3.2.1]octanes, TETRAHEDR-A, 11(12), 2000, pp. 2443-2448

Vibrational circular dichroism and absolute configuration of chiral sulfoxides: tert-butyl methyl sulfoxide

Authors: Aamouche, A Devlin, FJ Stephens, PJ Drabowicz, J Bujnicki, B Mikolajczyk, M

Citation: A. Aamouche et al., Vibrational circular dichroism and absolute configuration of chiral sulfoxides: tert-butyl methyl sulfoxide, CHEM-EUR J, 6(24), 2000, pp. 4479-4486

Conformations of chiral molecules in solution: Ab initio vibrational absorption and circular dichroism studies of 4,4a,5,6,7,8-hexahydro-4a-methyl-2(3H)-naphthalenone and 3,4,8,8a-tetrahydro-8a-methyl-1,6(2H,7H)-naphthalenedione

Authors: Aamouche, A Devlin, FJ Stephens, PJ

Citation: A. Aamouche et al., Conformations of chiral molecules in solution: Ab initio vibrational absorption and circular dichroism studies of 4,4a,5,6,7,8-hexahydro-4a-methyl-2(3H)-naphthalenone and 3,4,8,8a-tetrahydro-8a-methyl-1,6(2H,7H)-naphthalenedione, J AM CHEM S, 122(30), 2000, pp. 7358-7367

Structure, vibrational absorption and circular dichroism spectra, and absolute configuration of Troger's Base

Authors: Aamouche, A Devlin, FJ Stephens, PJ

Citation: A. Aamouche et al., Structure, vibrational absorption and circular dichroism spectra, and absolute configuration of Troger's Base, J AM CHEM S, 122(10), 2000, pp. 2346-2354

Determination of absolute configuration using circular dichroism: Troger'sbase revisited using vibrational circular dichroism

Authors: Aamouche, A Devlin, FJ Stephens, PJ

Citation: A. Aamouche et al., Determination of absolute configuration using circular dichroism: Troger'sbase revisited using vibrational circular dichroism, CHEM COMMUN, (4), 1999, pp. 361-362

Ab initio density functional theory study of the structure and vibrationalspectra of cyclohexanone and its isotopomers

Authors: Devlin, FJ Stephens, PJ

Citation: Fj. Devlin et Pj. Stephens, Ab initio density functional theory study of the structure and vibrationalspectra of cyclohexanone and its isotopomers, J PHYS CH A, 103(4), 1999, pp. 527-538

Conformational analysis using ab initio vibrational spectroscopy: 3-methylcyclohexanone

Authors: Devlin, FJ Stephens, PJ

Citation: Fj. Devlin et Pj. Stephens, Conformational analysis using ab initio vibrational spectroscopy: 3-methylcyclohexanone, J AM CHEM S, 121(32), 1999, pp. 7413-7414

Molecular structure in solution: An ab initio vibrational spectroscopy study of phenyloxirane

Authors: Ashvar, CS Devlin, FJ Stephens, PJ

Citation: Cs. Ashvar et al., Molecular structure in solution: An ab initio vibrational spectroscopy study of phenyloxirane, J AM CHEM S, 121(12), 1999, pp. 2836-2849

Risultati: 1-12 |