360 Publications (Page 12 of 15)
1991
Theoretical study of small gallium arsenide clustersAl-Laham, Mohammad A and Raghavachari, KrishnanChemical Physics Letters, vol. 187, (no. 1), pp. 20, 1991.
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Theoretical study of the reaction mechanism for the interaction of Si+ with disilaneAl‐Laham, Mohammad A and Raghavachari, KrishnanThe Journal of Chemical Physics, vol. 95, (no. 4), pp. 2567, 1991-08-15.
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1990
A theoretical study of small silicon clusters using an effective core potentialRohlfing, Celeste McMichael and Raghavachari, KrishnanChemical Physics Letters, vol. 167, (no. 6), pp. 565, 1990.
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Fifth order Moeller-Plesset perturbation theory: comparison of existing correlation methods and implementation of new methods correct to fifth orderRaghavachari, Krishnan⋅Pople, John A⋅Replogle, Eric S and Head-Gordon, MartinThe Journal of Physical Chemistry, vol. 94, (no. 14), pp. 5586, 1990-07-00.
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Gaussian‐1 theory of molecular energies for second‐row compoundsCurtiss, Larry A⋅Jones, Christopher⋅Trucks, Gary W⋅Raghavachari, Krishnan and Pople, John AThe Journal of Chemical Physics, vol. 93, (no. 4), pp. 2545, 1990-08-15.
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Ideal hydrogen termination of the Si (111) surfaceHigashi, G. S⋅Chabal, Y. J⋅Trucks, G. W and Raghavachari, KrishnanApplied Physics Letters, vol. 56, (no. 7), pp. 658, 1990-02-12.
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Mechanism of surface selectivity in aluminum chemical vapor depositionHigashi, G. S⋅Raghavachari, Krishnan and Steigerwald, M. LJournal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, vol. 8, (no. 1), pp. 105, 19900100.
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Molecular orbital studies on cyclic sulfur clusters: S6S12Raghavachari, Krishnan⋅Rohlfing, Celeste McMichael and Binkley, John StephenInternational Journal of Mass Spectrometry and Ion Processes, vol. 102, pp. 329, 1990-12-00.
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Reply to comment on: Coupled cluster approach or quadratic configuration interaction?Raghavachari, Krishnan⋅Head‐Gordon, Martin and Pople, John AThe Journal of Chemical Physics, vol. 93, (no. 2), pp. 1487, 1990-07-15.
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Size-consistent Brueckner theory limited to double and triple substitutionsRaghavachari, Krishnan⋅Pople, John A⋅Replogle, Eric S⋅Head-Gordon, Martin and Handy, Nicholas CChemical Physics Letters, vol. 167, (no. 1), pp. 121, 1990.
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Structure of the 2-butyl cation. Hydrogen bridged or methyl bridged?Carneiro, Jose Walkimar de M⋅Schleyer, Paul v. R⋅Koch, Wolfram and Raghavachari, KrishnanJournal of the American Chemical Society, vol. 112, (no. 10), pp. 4066, 1990-05-00.
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Structures and stabilities of sulfur clustersRaghavachari, Krishnan⋅Rohlfing, Celeste McMichael and Binkley, John StephenThe Journal of Chemical Physics, vol. 93, (no. 8), pp. 5874, 1990-10-15.
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Theoretical studies of clustering reactions. Sequential reactions of SiH+3 with silaneRaghavachari, KrishnanThe Journal of Chemical Physics, vol. 92, (no. 1), pp. 465, 1990-01-00.
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Theoretical study of C3, C−3 and C+3Raghavachari, KrishnanChemical Physics Letters, vol. 171, (no. 3), pp. 253, 1990-08-00.
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1989
A fifth-order perturbation comparison of electron correlation theoriesRaghavachari, Krishnan⋅Trucks, Gary W⋅Pople, John A and Head-Gordon, MartinChemical Physics Letters, vol. 157, (no. 6), pp. 483, 1989.
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Gaussian‐1 theory: A general procedure for prediction of molecular energiesPople, John A⋅Head‐Gordon, Martin⋅Fox, Douglas J⋅Raghavachari, Krishnan and Curtiss, Larry AThe Journal of Chemical Physics, vol. 90, (no. 10), pp. 5629, 1989-05-15.
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Highly correlated systems. Excitation energies of first row transition metals Sc–CuRaghavachari, Krishnan and Trucks, Gary WThe Journal of Chemical Physics, vol. 91, (no. 2), pp. 1065, 1989-07-15.
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Highly correlated systems. Ionization energies of first row transition metals Sc–ZnRaghavachari, Krishnan and Trucks, Gary WThe Journal of Chemical Physics, vol. 91, (no. 4), pp. 2460, 1989-08-15.
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Highly correlated systems. Structure and harmonic force field of F2O2Raghavachari, Krishnan and Trucks, Gary WChemical Physics Letters, vol. 162, (no. 6), pp. 516, 1989-10-00.
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Highly correlated systems: Structure, binding energy and harmonic vibrational frequencies of ozoneRaghavachari, Krishnan⋅Trucks, Gary W⋅Pople, John A and Replogle, EricChemical Physics Letters, vol. 158, (no. 3), pp. 212, 1989.
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Hyperconjugative distortions and the cyclopentyl cation structureSchleyer, Paul v. R⋅Carneiro, Jose W. de M⋅Koch, Wolfram and Raghavachari, KrishnanJournal of the American Chemical Society, vol. 111, (no. 14), pp. 5477, 1989-07-00.
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Lithium bond: H3N---LiOH and H2O---LiNH2 complexes and their interconversionsSapse, Anne-Marie and Raghavachari, KrishnanChemical Physics Letters, vol. 158, (no. 3-4), pp. 216, 1989-06-00.
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Quadratic configuration interaction: Reply to comment by Paldus, Cizek, and JeziorskiPople, John A⋅Head‐Gordon, Martin and Raghavachari, KrishnanThe Journal of Chemical Physics, vol. 90, (no. 8), pp. 4636, 1989-04-15.
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Radical cations of hexamethylprismane: ab initio calculations and nuclear spin polarization resultsRaghavachari, Krishnan⋅Raghavachari, Krishnan⋅Roth, Heinz D and Roth, Heinz DJournal of the American Chemical Society, vol. 111, (no. 18), pp. 7136, 1989-08-00.
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Size-consistent Brueckner theory limited to double substitutionsHandy, Nicholas C⋅Pople, John A⋅Head-Gordon, Martin⋅Raghavachari, Krishnan and Trucks, Gary WChemical Physics Letters, vol. 164, (no. 2), pp. 192, 1989.
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