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Author:McLean, A.D.

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28 matching references were found.

Moran, S.; Ellis, H.B., Jr.; DeFrees, D.J.; McLean, A.D.; Paulson, S.E.; Ellison, G.B., Carbanion spectroscopy: CH2NC-, J. Am. Chem. Soc., 1987, 109, 6004. [all data]

Moran, S.; Ellis, H.B., Jr.; DeFrees, D.J.; McLean, A.D.; Ellison, G.B., Carbanion spectroscopy: CH2CN-, J. Am. Chem. Soc., 1987, 109, 5996. [all data]

Luke, B.T.; McLean, A.D., J. Phys. Chem., 1985, 89, 4592. [all data]

DeFrees, D.J.; Loew, G.H.; McLean, A.D., The rotational spectra of HOCO/plus/, HOCN, HN3, and HNCO from quantum mechanical calculations, Astrophys. J., 1982, 254, 405, https://doi.org/10.1086/159745 . [all data]

Hunziker, H.E.; Kneppe, H.; McLean, A.D.; Siegbahn, P.; Wendt, H.R., Visible electronic absorption spectrum of vinyl radical, Can. J. Chem., 1983, 61, 5, 993, https://doi.org/10.1139/v83-175 . [all data]

McLean, A.D.; Loew, G.H.; Berkowitz, D.S., Structures and spectra of the isomers HNCO, HOCN, HONC, and HCNO from ab initio quantum mechanical calculations, J. Mol. Spectrosc., 1977, 62, 2, 184, https://doi.org/10.1016/0022-2852(77)90258-2 . [all data]

Green, S.; Bagus, P.S.; Liu, B.; McLean, A.D.; Yoshimine, M., Calculated potential-energy curves for CH+, Phys. Rev. A: Gen. Phys., 1972, 5, 1614. [all data]

Liu, B.; McLean, A.D., Accurate calculation of the attractive interaction of two ground state helium atoms, J. Chem. Phys., 1973, 59, 4557. [all data]

Yoshimine, M.; McLean, A.D.; Liu, B., Band strengths for electric dipole transitions from ab initio computation: LiO (X2«PI»-X2«PI», (A2«SIGMA»+-A2«SIGMA»+), (X2«PI»-A2«SIGMA»+); AlO (X2«SIGMA»+-X2«SIGMA»+), (A2«PI»-A2«PI»), (X2«SIGMA»+-A2«PI»), (B2«SIGMA»+-B2«SIGMA»+), (X2«SIGMA»+-B2«SIGMA»+), J. Chem. Phys., 1973, 58, 4412. [all data]

Lee, Y.S.; Ermler, W.C.; Pitzer, K.S.; McLean, A.D., Ab initio effective core potentials including relativistic effects. III. Ground state Au2 calculations, J. Chem. Phys., 1979, 70, 288-292. [all data]

Ermler, W.C.; McLean, A.D., The effects of basis set quality and configuration mixing in ab initio calculations of the ionization potentials of the nitrogen molecule, J. Chem. Phys., 1980, 73, 2297-2303. [all data]

Liu, B.; McLean, A.D., Ab initio potential curve for Be2(1«SIGMA»g+) from the interacting correlated fragments method, J. Chem. Phys., 1980, 72, 3418-3419. [all data]

McLean, A.D.; Gropen, O.; Huzinaga, S., Near Hartree-Fock calculations on I2 and its positive and negative ions, J. Chem. Phys., 1980, 73, 396-401. [all data]

Lee, Y.S.; McLean, A.D., Relativistic effects on Re and De in AgH and AuH from all-electron Dirac-Hartree-Fock calculations, J. Chem. Phys., 1982, 76, 735-736. [all data]

Lengsfield, B.H., III; McLean, A.D.; Yoshimine, M.; Liu, B., The binding energy of the ground state of Be2, J. Chem. Phys., 1983, 79, 1891-1895. [all data]

McLean, A.D., Nonrelativistic all electron SCF, MCSCF, and Cl calculations on the AgH, AuH, and Ag2 molecules, J. Chem. Phys., 1983, 79, 3392-3403. [all data]

McLean, A.D.; Liu, B., f-Type functions in the orbital basis for calculating molecular interactions involving d electrons. Cr2 and Mo2, Chem. Phys. Lett., 1983, 101, 144-148. [all data]

McLean, A.D.; Liu, B.; Chandler, G.S., Second row homopolar diatomic molecules. Potential curves, spectroscopic constants, and dissociation energies at the basis set limit for SCF and limited Cl wave functions, J. Chem. Phys., 1984, 80, 5130-5140. [all data]

Luthi, H.P.; McLean, A.D., Can the lowest two electronic states of Si2 be ordered?, Chem. Phys. Lett., 1987, 135, 352-356. [all data]

Bernath, P.F.; Rogers, S.A.; O'Brien, L.C.; Brazier, C.R.; McLean, A.D., Theoretical predictions and experimental detection of the SiC molecule, Phys. Rev. Lett., 1988, 60, 197-199. [all data]

Maluendes, S.A.; McLean, A.D., Chem. Phys. Lett., 1992, 200, 511-7. [all data]

Pauzat, F.; Ellinger, Y.; McLean, A.D., Astrophys. J., 1991, 369, L13-L16. [all data]

Herbst, E.; Winnewisser, G.; Yamada, K.M.T.; DeFrees, D.J.; McLean, A.D., Ab initio determination of mode coupling in disulfane (HSSH): the torsional splitting in the first excited S-S stretching state, J. Chem. Phys., 1989, 91, 5905. [all data]

DeFrees, D.J.; McLean, A.D., Chem. Phys. Lett., 1989, 158, 540. [all data]

McLean, A.D.; Liu, B.; Barker, J.A., Ab initio calculation of argon-argon potential, J. Chem. Phys., 1988, 89, 6339. [all data]

Luke, B.T.; Loew, G.H.; McLean, A.D., Abinitio calc of cc13 agrees with hudgens, J. Am. Chem. Soc., 1987, 109, 1307. [all data]

DeFrees, D.J.; McLean, A.D., Astrophys. J., 1986, 308, L31-L35. [all data]

Hunziker, H.E.; Kneppe, H.; McLean, A.D.; Siebahn, P.; Wendt, H.R., Can. J. Chem., 1983, 61, 993-5. [all data]