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Shemesh, Dorit, Mullin, Jonathan, Gordon, Mark S., Gerber, R. Benny (2008) Vibrational spectroscopy for glycine adsorbed on silicon clusters: Harmonic and anharmonic calculations for models of the Si(100)-2×1 surface. Chemical Physics, 347. 218-228 doi:10.1016/j.chemphys.2007.09.062

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Reference TypeJournal (article/letter/editorial)
TitleVibrational spectroscopy for glycine adsorbed on silicon clusters: Harmonic and anharmonic calculations for models of the Si(100)-2×1 surface
JournalChemical Physics
AuthorsShemesh, DoritAuthor
Mullin, JonathanAuthor
Gordon, Mark S.Author
Gerber, R. BennyAuthor
Year2008 (May)Volume347
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2007.09.062Search in ResearchGate
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Mindat Ref. ID5961554Long-form Identifiermindat:1:5:5961554:9
GUID0
Full ReferenceShemesh, Dorit, Mullin, Jonathan, Gordon, Mark S., Gerber, R. Benny (2008) Vibrational spectroscopy for glycine adsorbed on silicon clusters: Harmonic and anharmonic calculations for models of the Si(100)-2×1 surface. Chemical Physics, 347. 218-228 doi:10.1016/j.chemphys.2007.09.062
Plain TextShemesh, Dorit, Mullin, Jonathan, Gordon, Mark S., Gerber, R. Benny (2008) Vibrational spectroscopy for glycine adsorbed on silicon clusters: Harmonic and anharmonic calculations for models of the Si(100)-2×1 surface. Chemical Physics, 347. 218-228 doi:10.1016/j.chemphys.2007.09.062
In(n.d.) Chemical Physics Vol. 347. Elsevier BV

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Shemesh, Dorit, Baer, Roi, Seideman, Tamar, Gerber, R. Benny (2005) Photoionization dynamics of glycine adsorbed on a silicon cluster: “On-the-fly” simulations. The Journal of Chemical Physics, 122 (18). 184704pp. doi:10.1063/1.1894052
Sagiv, Lior, Hirshberg, Barak, Gerber, R. Benny (2018) Anharmonic vibrational spectroscopy calculations using the ab initio CSP method: Applications to H2CO3, (H2CO3)2, H2CO3-H2O and isotopologues. Chemical Physics, 514. 44-54 doi:10.1016/j.chemphys.2017.12.015
Chaban, Galina M., Gerber, R. Benny (2001) Anharmonic vibrational spectroscopy of the glycine–water complex: Calculations for ab initio, empirical, and hybrid quantum mechanics/molecular mechanics potentials. The Journal of Chemical Physics, 115 (3). 1340-1348 doi:10.1063/1.1379040
Miller, Yifat, Chaban, Galina M., Zhou, Jia, Asmis, Knut R., Neumark, Daniel M., Benny Gerber, R. (2007) Vibrational spectroscopy of (SO42−)∙(H2O)n clusters, n=1–5: Harmonic and anharmonic calculations and experiment. The Journal of Chemical Physics, 127 (9). 94305pp. doi:10.1063/1.2764074
Shemesh, Dorit, Salomon, Ronnie, Kim, Stephanie Hyejin, Tyndall, Geoffrey S., Nizkorodov, Sergey A., Gerber, R. Benny (2018) Adjacent keto and enol groups in photochemistry of a cyclic molecule: Products, mechanisms and dynamics. Chemical Physics, 515. 177-186 doi:10.1016/j.chemphys.2018.07.045
Shemesh, Dorit, Chaban, Galina M., Gerber, R. Benny (2004) Photoionization Dynamics of Glycine:  The First 10 Picoseconds. The Journal of Physical Chemistry A, 108 (52). 11477-11484 doi:10.1021/jp040331o
Lundell, Jan, Chaban, Galina M, Benny Gerber, R (2000) Combined ab initio and anharmonic vibrational spectroscopy calculations for rare gas containing fluorohydrides, HRgF. Chemical Physics Letters, 331. 308-316 doi:10.1016/s0009-2614(00)01180-5
Shemesh, Dorit, Luo, Man, Grassian, Vicki H., Gerber, R. Benny (2020) Absorption spectra of pyruvic acid in water: insights from calculations for small hydrates and comparison to experiment. Physical Chemistry Chemical Physics, 22 (22) 12658-12670 doi:10.1039/d0cp01810d
Pele, Liat, Gerber, R. Benny (2008) On the number of significant mode-mode anharmonic couplings in vibrational calculations: Correlation-corrected vibrational self-consistent field treatment of di-, tri-, and tetrapeptides. The Journal of Chemical Physics, 128 (16). 165105pp. doi:10.1063/1.2909558
Brindle, Carrie A., Chaban, Galina M., Gerber, R. Benny, Janda, Kenneth C. (2005) Anharmonic vibrational spectroscopy calculations for (NH3)(HF) and (NH3)(DF): fundamental, overtone, and combination transitions. Physical Chemistry Chemical Physics, 7 (5). 945pp. doi:10.1039/b413678k
Shemesh, Dorit, Gerber, R. Benny (2012) Femtosecond timescale deactivation of electronically excited peroxides at ice surfaces. Molecular Physics, 110. 605-617 doi:10.1080/00268976.2012.666279
 
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