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Author:Raghavachari, K.

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17 matching references were found.

Curtiss, L.A.; Raghavachari, K.; Trucks, G.W.; Pople, J.A., Gaussian-2 Theory for Molecular Energies of First- and Second-row Compounds, J. Chem. Phys., 1991, 94, 11, 7221, https://doi.org/10.1063/1.460205 . [all data]

Chatterjee, B.; Akin, F.A.; Jarrold, C.C.; Raghavachari, K., A comparison of stable carbonyls formed in the gas-phase reaction between group 10 atomic anions and methanol or methoxy radi, J. Chem. Phys., 2003, 119, 20, 10591-10599, https://doi.org/10.1063/1.1619131 . [all data]

Yoder, B.L.; Maze, J.T.; Raghavachari, K.; Jarrold, C.C., Structures of Mo2Oy- and Mo2Oy (y=2, 3, and 4) studied by anion photoelectron spectroscopy and density functional theory calculations, J. Chem. Phys., 2005, 122, 9, 094313, https://doi.org/10.1063/1.1853379 . [all data]

Curtiss, L.A.; Raghavachari, K.; Redfern, P.C.; Pople, J.A., Assesment of Gaussian-3 and density Functional Theories for a larger experimental test set, J. Chem. Phys. 112 (2000), 7374. [all data]

Ruscic, B.; Michael, J.V.; Redfern, P.C.; Curtiss, L.A.; Raghavachari, K., Simultaneous adjustment of experimentally based enthalpies of formation of CF3X, X = nil, H, Cl, Br, I, CF3, CN, and a probe of G3 theory, J. Phys. Chem. A, 1998, 102, 52, 10889-10899, https://doi.org/10.1021/jp983237e . [all data]

Chatterjee, B.; Akin, F.A.; Jarrold, C.C.; Raghavachari, K., A comparison of stable carbonyls formed in the gas-phase reaction between group 10 atomic anions and methanol or methoxy radicals: Anion photoelectron spectroscopy and density functional theory calculations on HNiCO[sup -], PdCO[sup -], and PtCO[sup -], J. Chem. Phys., 2003, 119, 20, 10591, https://doi.org/10.1063/1.1619131 . [all data]

Chatterjee, B.; Akin, F.A.; Jarrold, C.C.; Raghavachari, K., Comparison of Nickel-Group Metal Cyanides and Acetylides and Their Anions Using Anion Photoelectron Spectroscopy and Density Functional Theory Calculations, J. Phys. Chem. A, 2005, 109, 31, 6880, https://doi.org/10.1021/jp0520704 . [all data]

Honea, E.C.; Ogura, A.; Murray, C.A.; Raghavachari, K.; Sprenger, W.O.; Jarrold, M.F.; Brown, W.L., Raman spectra of size-selected silicon clusters and comparison with calculated structures, Nature, 1993, 366, 6450, 42, https://doi.org/10.1038/366042a0 . [all data]

Li, S.; Van Zee, R.J.; Weltner, W., Jr.; Raghavachari, K., Si3«58872»Si7. Experimental and theoretical infrared spectra, Chem. Phys. Lett., 1995, 243, 3-4, 275, https://doi.org/10.1016/0009-2614(95)00836-S . [all data]

Rechtsteiner, G.A.; Felix, C.; Ott, A.K.; Hampe, O.; Van Duyne, R.P.; Jarrold, M.F.; Raghavachari, K., Raman and Fluorescence Spectra of Size-Selected, Matrix-Isolated C, J. Phys. Chem. A, 2001, 105, 13, 3029, https://doi.org/10.1021/jp003615r . [all data]

Raghavachari, K.; Haddon, R.C.; Binkley, J.S., Small elemental clusters: theoretical study of P, P2, P4 and P8, Chem. Phys. Lett., 1985, 122, 219-224. [all data]

Raghavachari, K.; Sunil, K.K.; Jordan, K.D., Theoretical study of the bonding in CuH and Cu2, J. Chem. Phys., 1985, 83, 4633-4640. [all data]

Sunil, K.K.; Jordan, K.D.; Raghavachari, K., The importance of f functions and 3d electron correlation effects in the bonding in Cu2, J. Phys. Chem., 1985, 89, 457-459. [all data]

Raghavachari, K., Theoretical studies on carbon and silicon clusters: comparison of the structures and stabilities of neutral and ionic forms, Z. Phys. D: At. Mol. Clusters, 1989, 12, 61-64. [all data]

Curtiss, L.A.; Raghavachari, K.; Pople, J.A., The accurate determination of enthalpies of formation, Chem. Phys. Lett., 1993, 214, 183-5. [all data]

Haddon, R.C.; Raghavachari, K., J. Chem. Phys., 1983, 79, 1093. [all data]

DeFrees, D.J.; Raghavachari, K.; Schlegel, H.B.; Pople, J.A., J. Am. Chem. Soc., 1982, 104, 5576. [all data]