검색결과 : 16건
| No. | Article |
|---|---|
| 1 |
Frequency and Zero-Point Vibrational Energy Scale Factors for Double-Hybrid Density Functionals (and Other Selected Methods): Can Anharmonic Force Fields Be Avoided? Kesharwani MK, Brauer B, Martin JML Journal of Physical Chemistry A, 119(9), 1701, 2015 |
| 2 |
Revealing the Hot Bands in the Regions of the N-H and C-H Stretch Fundamentals of Pyrrole Epshtein M, Portnov A, Mayorkas N, Rosenwaks S, Brauer B, Bar I Journal of Physical Chemistry A, 117(46), 11618, 2013 |
| 3 |
Speed limit of the insulator-metal transition in magnetite de Jong S, Kukreja R, Trabant C, Pontius N, Chang CF, Kachel T, Beye M, Sorgenfrei F, Back CH, Brauer B, Schlotter WF, Turner JJ, Krupin O, Doehler M, Zhu D, Hossain MA, Scherz AO, Fausti D, Novelli F, Esposito M, Lee WS, Chuang YD, Lu DH, Moore RG, Yi M, Trigo M, Kirchmann P, Pathey L, Golden MS, Buchholz M, Metcalf P, Parmigiani F, Wurth W, Fohlisch A, Schussler-Langeheine C, Durr HA Nature Materials, 12(10), 882, 2013 |
| 4 |
Raman and infrared spectra of cellobiose in the solid state: What can be learned from single-molecule calculations? Xie HB, Pincu M, Brauer B, Gerber RB, Bar I Chemical Physics Letters, 514(4-6), 284, 2011 |
| 5 |
Vibrational Spectra of alpha-Glucose, beta-Glucose, and Sucrose: Anharmonic Calculations and Experiment Brauer B, Pincu M, Buch V, Bar I, Simons JP, Gerber RB Journal of Physical Chemistry A, 115(23), 5859, 2011 |
| 6 |
Isotopic Hydration of Cellobiose: Vibrational Spectroscopy and Dynamical Simulations Pincu M, Cocinero EJ, Mayorkas N, Brauer B, Davis BG, Gerber RB, Simons JP Journal of Physical Chemistry A, 115(34), 9498, 2011 |
| 7 |
Electronic and Magnetic Properties of Ni Nanoparticles Embedded in Various Organic Semiconductor Matrices Brauer B, Vaynzof Y, Zhao W, Kahn A, Li W, Zahn DRT, Fernandez CDJ, Sangregorio C, Salvan G Journal of Physical Chemistry B, 113(14), 4565, 2009 |
| 8 |
How Photoelectron Spectroscopy and Quantum Chemical Studies Can Help Understanding the Magnetic Properties of Molecules: An Example from the Class of Cu(II)-Bis(oxamato) Complexes Brauer B, Grobosch M, Knupfer M, Weigend F, Vaynzof Y, Kahn A, Ruffer T, Salvan G Journal of Physical Chemistry B, 113(30), 10051, 2009 |
| 9 |
Magneto-Optical Kerr Effect Spectroscopy-A Sensitive Tool for Investigating the Molecular Orientation in Organic Semiconductor Films Brauer B, Fronk M, Lehmann D, Zahn DRT, Salvan G Journal of Physical Chemistry B, 113(45), 14957, 2009 |
| 10 |
Electron paramagnetic resonance and density-functional theory studies of Cu(II)-bis(oxamato) complexes Brauer B, Weigend F, Fittipaldi M, Gatteschi D, Reijerse EJ, Guerri A, Ciattini S, Salvan G, Ruffer T Inorganic Chemistry, 47(15), 6633, 2008 |