EPR of VO2+ in calcium(picrate)2(2,2′-bipyridyl)2: studies on molecular orbital coefficients
- 作者D. Pathinettam Padiyan; C. Muthukrishnan; R. Murugesan
- 卷第648卷
- 印刷ISSN0022-2860
- 文件大小142.86KB
- 发表时间2003
- DOI10.1016/s0022-2860(02)00104-7
- 页码1-8
Quantum chemical study on influence of intermolecular hydrogen bonding on the geometry, the atomic charges and the vibrational dynamics of 2,6-dichlorobenzonitrileAgarwal, Parag; Bee, Saba; Gupta, Archana; Tandon, Poonam; Rastogi, V.K.; Mishra, Soni; Rawat, Poonam · Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy · 2014
Influence of intermolecular amide hydrogen bonding on the geometry, atomic charges, and spectral modes of acetanilide: An ab initio studyJ. Binoy; N. B. Prathima; C. Murali Krishna; C. Santhosh; I. Hubert Joe; V. S. Jayakumar · 2006
Influence of Hydrogen Bonds on the Electron-Phonon Coupling Strength/Marker Mode Structure and Charge Separation Rates in Reaction Centers from Rhodobacter sphaeroidesKhmelnitskiy, Anton; Williams, JoAnn C.; Allen, James P.; Jankowiak, Ryszard J · The Journal of Physical Chemistry B · 2019
Stretched Molecular Hydrogen Complexes of Osmium(II): A Quantum Chemical Study of the Influence of the Trans Ligand on Geometries, Spin-Spin Coupling Constants, Bonding, and Charge DistributionsCraw, J. S.; Bacskay, G. B.; Hush, N. S. · Journal of the American Chemical Society · 1994