화학공학소재연구정보센터
검색결과 : 18건
No. Article
1 Chemical Bonding Governs Complex Magnetism in MnPt5P
Gui X, Klein RA, Brown CM, Xie WW
Inorganic Chemistry, 60(1), 87, 2021
2 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
3 MORE ON H-BONDING
Weinhold F, Klein RA
Chemical & Engineering News, 92(46), 4, 2014
4 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
5 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
6 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
7 Modified van der Waals atomic radii for hydrogen bonding based on electron density topology
Klein RA
Chemical Physics Letters, 425(1-3), 128, 2006
8 Hydrogen bonding in strained cyclic vicinal diols: The birth of the hydrogen bond
Klein RA
Chemical Physics Letters, 429(4-6), 633, 2006
9 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
10 Lack of intramolecular hydrogen bonding in glucopyranose: Vicinal hydroxyl groups exhibit negative cooperativity
Klein RA
Chemical Physics Letters, 433(1-3), 165, 2006