Publications

Mark L. Naklicki, Serge I. Gorelsky, Wolfgang Kaim, Biprajit Sarkar, and Robert J. Crutchley. 1H NMR, Electron Paramagnetic Resonance, and Density Functional Theory Study of Dinuclear Pentaammineruthenium Dicyanamidobenzene Complexes. Inorganic Chemistry, (51)3:1400--1407, 2012. [PUMA: ESR NMR complex;proton density dicyanamidobenzene functional pentaammine ruthenium theory]

Mark L. Naklicki, Serge I. Gorelsky, Wolfgang Kaim, Biprajit Sarkar, and Robert J. Crutchley. 1H NMR, Electron Paramagnetic Resonance, and Density Functional Theory Study of Dinuclear Pentaammineruthenium Dicyanamidobenzene Complexes. Inorganic Chemistry, (51)3:1400--1407, 2012. [PUMA: ESR NMR complex;proton density dicyanamidobenzene functional pentaammine ruthenium theory]

Guntram Rauhut, Andrzej A. Jarzfcki, and Peter Pulay. Density functional based vibrational study of conformational isomers: molecular rearrangement of benzofuroxan. J. Comput. Chem., (18)4:489–500, 1997. [PUMA: chemie Benzofuroxan,Density (DFT),Nitrosobenzene,Orf/io-dinitrosobenzene,Tautomerism,Vibrational functional from:alexanderdenzel rauhut theoretische stuttgart spectra theochem theory] URL