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2011 Publications Resulting from the Use of NERSC Resources

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Vibrational spectra of beta-Glucose, beta-Glucose and Sucrose: Anharmonic Calculations and Experiment, Brina Brauer, Madeleine Pincu, Victoria Buch, Ilana ...

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Brina Brauer | XanEdu Customization Platform

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Author: Brina Brauer. Results. Sugar-salt and sugar-salt-water complexes: structure and dynamics of glucose-KNO3-(H2O)n RSC Publishing

Analysis and Control of Ultrafast Photoinduced Reactions | Ebook |...

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Ellibs Ebookstore - Ebook: Analysis and Control of Ultrafast Photoinduced Reactions - Author: Kühn, Oliver - Price: 181,45€

Analysis and Control of Ultrafast Photoinduced Reactions | E-kirja |...

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Ellibs E-kirjakauppa - E-kirja: Analysis and Control of Ultrafast Photoinduced Reactions - Tekijä: Kühn, Oliver - Hinta: 181,45€

Thom H. Dunning, Jr.: A Festschrift from Theoretical Chemistry...

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In this Festschrift celebrating the career of Thom H. Dunning, Jr., selected researchers in theoretical chemistry present research highlights on major...

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Chemical Physics Letters | Vol 514, Issues 4–6, Pages (6...

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... can be learned from single-molecule calculations? Original research article: Pages Hong-bin Xie, Madeleine Pincu, Brina Brauer, R. Benny Gerber, ...

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The S66x8 benchmark for noncovalent interactions revisited:...

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From: Brina Brauer, Manoj K. Kesharwani, Sebastian Kozuch, and Jan M. L. Martin, "The S66x8 benchmark for noncovalent interactions revisited: explicitly ...

Frequency and Zero-Point Vibrational Energy Scale Factors for...

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, 23:31 by Manoj K. Kesharwani Brina Brauer Jan M. L. Martin. We have obtained uniform frequency scaling factors λharm (for ...

Jan ML Martin - Publications List

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Manoj K Kesharwani, Brina Brauer, Jan M L Martin (2015) Frequency and zero-point vibrational energy scale factors for double hybrid density functionals (and ...

Physical Chemistry Chemical Physics - 文献云阅读

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Physical Chemistry Chemical Physics,RSC - Phys. Chem. Chem. Phys. latest articles

Spectroscopically-tested, improved, semi-empirical potentials for...

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Spectroscopically-tested, improved, semi-empirical potentials for biological molecules: Calculations for glycine , alanine and proline. Brina Brauer, Galina M.

Raman and infrared spectra of cellobiose in the solid state: What can...

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in s? Be salem and bra and red alcu nt Fut 1. Introduction Vibrational spectra make available the characteristic vibrations in molecules. The n the m e ﬁne...

Sugar–salt and sugar–salt–water complexes: structure and dynamics of...

pubs.rsc.org

Madeleine Pincu, Brina Brauer, Robert Benny Gerber and Victoria Buch. Phys. Chem. Chem. Phys., 2010,12, DOI: B G Received

Vibrational spectroscopy of triacetone triperoxide (TATP): Anharmonic...

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Brina Brauer. Department of Physical Chemistry and Fritz Haber Institute for Molecular Dynamics, Hebrew University of Jerusalem, Jerusalem , Israel ...

When a proton attacks cellobiose in the gas phase: ab initio...

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When a proton attacks cellobiose in the gas phase: ab initio molecular dynamics simulations. Madeleine Pincu, Brina Brauer and R. Benny Gerber. Phys. Chem.

Vibrational Spectra of α-Glucose, β-Glucose, and Sucrose: Anharmonic...

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Vibrational Spectra of α-Glucose, β-Glucose, and Sucrose: Anharmonic Calculations and Experiment. Brina Brauer, Madeleine Pincu, Victoria Buch, Ilana Bar, ...

Vibrational Spectroscopy of the G· · ·C Base Pair: Experiment,...

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... Anharmonic Couplings. Brina Brauer, R. Benny Gerber, Martin Kabeláč, Pavel Hobza, Joost M. Bakker, Ali G. Abo Riziq, Mattanjah S. de Vries ... Brina Brauer ...

What Can We Learn about Dispersion from the ACS Publications -...

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Mar 1, A large number of approximate electronic structure ... formally single bondsâ2 and a conformer as âOne...

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