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Chemical Bonding Governs Complex Magnetism in MnPt5P Gui X, Klein RA, Brown CM, Xie WW Inorganic Chemistry, 60(1), 87, 2021 |
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Impact of Pressure on Magnetic Order in Jarosite Klein RA, Walsh JPS, Clarke SM, Guo YS, Bi WL, Fabbris G, Meng Y, Haskel D, Alp EE, Van Duyne RP, Jacobsen SD, Freedman DE Journal of the American Chemical Society, 140(38), 12001, 2018 |
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MORE ON H-BONDING Weinhold F, Klein RA Chemical & Engineering News, 92(46), 4, 2014 |
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Pople versus Dunning basis-sets for group IA metal hydrides and some other second row hydrides: The case against a De Facto standard Klein RA, Zottola MA Chemical Physics Letters, 419(1-3), 254, 2006 |
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Pople versus Dunning basis-sets for group IA metal hydrides and some other second row hydrides. BeH and BeH2 (vol 419, pg 254, 2006) Klein RA, Zottola MA Chemical Physics Letters, 421(4-6), 595, 2006 |
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Single point calculations using geometries derived at a lower level of theory: Caveats to be observed in using compound levels of theory or'double-barrelling' Klein RA Chemical Physics Letters, 423(4-6), 413, 2006 |
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Modified van der Waals atomic radii for hydrogen bonding based on electron density topology Klein RA Chemical Physics Letters, 425(1-3), 128, 2006 |
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Hydrogen bonding in strained cyclic vicinal diols: The birth of the hydrogen bond Klein RA Chemical Physics Letters, 429(4-6), 633, 2006 |
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Reply to the comment on'Pople versus Dunning basis-sets for group IA metal hydrides and some other second row hydrides: The case against a De Facto standard' by R.A. Klein and M.A. Zottola [Chem. Phys. Lett. 419 (2006) 254-258] Klein RA, Zottola MA Chemical Physics Letters, 430(4-6), 464, 2006 |
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Lack of intramolecular hydrogen bonding in glucopyranose: Vicinal hydroxyl groups exhibit negative cooperativity Klein RA Chemical Physics Letters, 433(1-3), 165, 2006 |