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Benny Gerber

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TOP 3
Garold Murdachaew; Leon F Phillips; Mychel E Varner; Barbara J Finlayson-Pitts; R Benny Gerber
Nitrogen dioxide at the air-water interface: trapping, absorption, and solvation in the bulk and at the surface.
Lin Jin; John P Simons; R Benny Gerber
Monosaccharide-water complexes: vibrational spectroscopy and anharmonic potentials.
Matthew L Dawson; Michael J Ezell; R Benny Gerber; Véronique Perraud; Mychel E Varner; Barbara J Finlayson-Pitts
Simplified mechanism for new particle formation from methanesulfonic acid, amines, and water via experiments and ab initio calculations.

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All Publications

2013: Garold Murdachaew; Leon F Phillips; Mychel E Varner; Barbara J Finlayson-Pitts; R Benny Gerber
Nitrogen dioxide at the air-water interface: trapping, absorption, and solvation in the bulk and at the surface.
Physical chemistry chemical physics : PCCP 2013;15(1):204-12.
2012: Lin Jin; John P Simons; R Benny Gerber
Monosaccharide-water complexes: vibrational spectroscopy and anharmonic potentials.
The journal of physical chemistry. A 2012;116(46):11088-94.
2012: Matthew L Dawson; Michael J Ezell; R Benny Gerber; Véronique Perraud; Mychel E Varner; Barbara J Finlayson-Pitts
Simplified mechanism for new particle formation from methanesulfonic acid, amines, and water via experiments and ab initio calculations.
Proceedings of the National Academy of Sciences of the United States of America 2012;109(46):18719-24.
2012: Lin Jin; R Benny Gerber
Migration and chemical reaction of H+ in protonated β-galactose.
Physical chemistry chemical physics : PCCP 2012;14(39):13522-6.
2012: Hong-Bin Xie; R Benny Gerber
Interaction and reaction of the hydroxyl ion with β-D-galactose and its hydrated complex: an ab initio molecular dynamics study.
Physical chemistry chemical physics : PCCP 2012;14(35):12086-9.
2012: Scott A Epstein; Sergey A Nizkorodov; Dorit Shemesh; Van T Tran; R Benny Gerber
Absorption spectra and photolysis of methyl peroxide in liquid and frozen water.
The journal of physical chemistry. A 2012;116(24):6068-77.
2011: Ehud Tsivion; R Benny Gerber
Stability of noble-gas hydrocarbons in an organic liquid-like environment: HXeCCH in acetylene.
Physical chemistry chemical physics : PCCP 2011;13(43):19601-6.
2011: Michaela Shmilovits-Ofir; R Benny Gerber
Proton transfer and dissociation of GlyLysH+ following O-H and N-H stretching mode excitations: dynamics simulations.
Journal of the American Chemical Society 2011;133(41):16510-7.
2011: Madeleine Pincu; Brina Brauer; Emilio J Cocinero; Benjamin G Davis; R Benny Gerber; Nitzan Mayorkas; John P Simons
Isotopic hydration of cellobiose: vibrational spectroscopy and dynamical simulations.
The journal of physical chemistry. A 2011;115(34):9498-509.
2011: Moshe Goldstein; Erick Fredj; R Benny Gerber
A new hybrid algorithm for finding the lowest minima of potential surfaces: approach and application to peptides.
Journal of computational chemistry 2011;32(9):1785-800.
2011: Brina Brauer; Victoria Buch; Madeleine Pincu; John P Simons; Ilana Bar; R Benny Gerber
Vibrational spectra of α-glucose, β-glucose, and sucrose: anharmonic calculations and experiment.
The journal of physical chemistry. A 2011;115(23):5859-72.
2011: Michaela Shmilovits-Ofir; Yifat Miller; R Benny Gerber
Conformational transitions of glycine induced by vibrational excitation of the O-H stretch.
Physical chemistry chemical physics : PCCP 2011;13(19):8715-22.
2010: Ehud Tsivion; R Benny Gerber
Predicted compounds of radon with acetylene and water.
Physical chemistry chemical physics : PCCP 2010;12(37):11791-4.
2010: M A Kamboures; Sergey A Nizkorodov; R Benny Gerber
Ultrafast photochemistry of methyl hydroperoxide on ice particles.
Proceedings of the National Academy of Sciences of the United States of America 2010;107(15):6600-4.
2010: Bosiljka Njegic; Jonathan D Raff; Barbara J Finlayson-Pitts; Mark S Gordon; R Benny Gerber
Catalytic role for water in the atmospheric production of ClNO.
The journal of physical chemistry. A 2010;114(13):4609-18.
2010: Christopher W Harmon; Ronald L Grimm; Theresa M McIntire; Mark D Peterson; Bosiljka Njegic; Vanessa M Angel; Ahmad Alshawa; Joelle S Underwood; Douglas J Tobias; R Benny Gerber; Mark S Gordon; John C Hemminger; Sergey A Nizkorodov
Hygroscopic growth and deliquescence of NaCl nanoparticles mixed with surfactant SDS.
The journal of physical chemistry. B 2010;114(7):2435-49.
2009: Yifat Miller; Jennie L Thomas; Daniel D Kemp; Barbara J Finlayson-Pitts; Mark S Gordon; Douglas J Tobias; R Benny Gerber
Structure of large nitrate-water clusters at ambient temperatures: simulations with effective fragment potentials and force fields with implications for atmospheric chemistry.
The journal of physical chemistry. A 2009;113(46):12805-14.
2009: Vladimir I Feldman; Alexey V Kobzarenko; Irina A Baranova; Alexander V Danchenko; Fedor F Sukhov; Ehud Tsivion; R Benny Gerber
Direct visualization of the H-Xe bond in xenon hydrides: xenon isotopic shift in the IR spectra.
The Journal of chemical physics 2009;131(15):151101.
2009: Yifat Miller; Barbara J Finlayson-Pitts; R Benny Gerber
Ionization of N2O4 in contact with water: mechanism, time scales and atmospheric implications.
Journal of the American Chemical Society 2009;131(34):12180-5.
2009: Jonathan D Raff; Bosiljka Njegic; Wayne L Chang; Mark S Gordon; Donald Dabdub; R Benny Gerber; Barbara J Finlayson-Pitts
Chlorine activation indoors and outdoors via surface-mediated reactions of nitrogen oxides with hydrogen chloride.
Proceedings of the National Academy of Sciences of the United States of America 2009;106(33):13647-54.
2009: Adeyemi A Adesokan; R Benny Gerber
Anharmonic vibrational spectroscopy calculations for proton-bound amino acid dimers.
The journal of physical chemistry. A 2009;113(10):1905-12.
2009: Leonid Khriachtchev; Markku Räsänen; R Benny Gerber
Noble-gas hydrides: new chemistry at low temperatures.
Accounts of chemical research 2009;42(1):183-91.
2009: Oliver Link; Esteban Vöhringer-Martinez; Eugen Lugovoj; Yaxing Liu; Katrin Siefermann; Manfred Faubel; Helmut Grubmüller; R Benny Gerber; Yifat Miller; Bernd Abel
Ultrafast phase transitions in metastable water near liquid interfaces.
Faraday discussions 2009;141():67-79; discussion 81-98.
2008: Brina Brauer; Faina Dubnikova; Yehuda Zeiri; Ronnie Kosloff; R Benny Gerber
Vibrational spectroscopy of triacetone triperoxide (TATP): anharmonic fundamentals, overtones and combination bands.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 2008;71(4):1438-45.
2008: Michael A Kamboures; Jonathan D Raff; Yifat Miller; Leon F Phillips; Barbara J Finlayson-Pitts; R Benny Gerber
Complexes of HNO3 and NO3 - with NO2 and N2O4, and their potential role in atmospheric HONO formation.
Physical chemistry chemical physics : PCCP 2008;10(39):6019-32.
2008: Michal Z Steinberg; Ron Elber; Fred W McLafferty; R Benny Gerber; Kathrin Breuker
Early structural evolution of native cytochrome c after solvent removal.
Chembiochem : a European journal of chemical biology 2008;9(15):2417-23.
2008: Elad Segev; Thomas Wyttenbach; Michael T Bowers; R Benny Gerber
Conformational evolution of ubiquitin ions in electrospray mass spectrometry: molecular dynamics simulations at gradually increasing temperatures.
Physical chemistry chemical physics : PCCP 2008;10(21):3077-82.
2008: Leonid Khriachtchev; Karoliina Isokoski; Arik Cohen; Markku Räsänen; R Benny Gerber
A small neutral molecule with two noble-gas atoms: HXeOXeH.
Journal of the American Chemical Society 2008;130(19):6114-8.
2008: Henrik G Kjaergaard; Anna L Garden; Galina M Chaban; R Benny Gerber; Devin A Matthews; John F Stanton
Calculation of vibrational transition frequencies and intensities in water dimer: comparison of different vibrational approaches.
The journal of physical chemistry. A 2008;112(18):4324-35.
2008: Liat Pele; R Benny Gerber
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 2008;128(16):165105.
2008: Yifat Miller; R Benny Gerber
Dynamics of proton recombination with NO3- anion in water clusters.
Physical chemistry chemical physics : PCCP 2008;10(8):1091-3.
2008: Israel Wolf; Avraham Shapira; Rina Giniger; Yifat Miller; R Benny Gerber; Ori Cheshnovsky
Critical size for intracluster proton transfer from water to an anion.
Angewandte Chemie (International ed. in English) 2008;47(33):6272-4.
2007: Yifat Miller; Galina M Chaban; Jia Zhou; Knut R Asmis; Daniel M Neumark; R Benny Gerber
Vibrational spectroscopy of (SO4(2-)).(H2O)n clusters, n=1-5: harmonic and anharmonic calculations and experiment.
The Journal of chemical physics 2007;127(9):094305.
2007: Michal Z Steinberg; Kathrin Breuker; Ron Elber; R Benny Gerber
The dynamics of water evaporation from partially solvated cytochrome c in the gas phase.
Physical chemistry chemical physics : PCCP 2007;9(33):4690-7.
2007: Adeyemi A Adesokan; Galina M Chaban; Otto Dopfer; R Benny Gerber
Vibrational spectroscopy of protonated imidazole and its complexes with water molecules: ab initio anharmonic calculations and experiments.
The journal of physical chemistry. A 2007;111(31):7374-81.
2007: Adeyemi A Adesokan; Duohai Pan; Erick Fredj; Richard A Mathies; R Benny Gerber
Anharmonic vibrational calculations modeling the raman spectra of intermediates in the photoactive yellow protein (PYP) photocycle.
Journal of the American Chemical Society 2007;129(15):4584-94.
2007: Li Sheng; R Benny Gerber
Predicted stability and structure of (HXeCCH)n (n=2 or 4) clusters and of crystalline HXeCCH.
The Journal of chemical physics 2007;126(2):021108.
2006: Li Sheng; R Benny Gerber
Stability and structure of oligomers and polymers made of xenon and hydrocarbons: theoretical predictions.
The Journal of chemical physics 2006;125(20):201101.
2006: Elad Segev; Mikael Grumbach; R Benny Gerber
Evolution of conformational changes in the dynamics of small biological molecules: a hybrid MD/RRK approach.
Physical chemistry chemical physics : PCCP 2006;8(42):4915-23.
2006: Tamar Ansbacher; R Benny Gerber
New organic noble gas molecules: energetics, stability and potential energy surfaces of HCCXeCCH and HCCKrCCH.
Physical chemistry chemical physics : PCCP 2006;8(36):4175-81.
2006: Yifat Miller; R Benny Gerber
Dynamics of vibrational overtone excitations of H2SO4, H2SO4-H2O: hydrogen-hopping and photodissociation processes.
Journal of the American Chemical Society 2006;128(30):9594-5.
2006: Dorit Shemesh; R Benny Gerber
Classical trajectory simulations of photoionization dynamics of tryptophan: intramolecular energy flow, hydrogen-transfer processes and conformational transitions.
The journal of physical chemistry. A 2006;110(27):8401-8.
2006: Li Sheng; R Benny Gerber
High coordination chemically bound compounds of noble gases with hydrocarbons: Ng(CCH)4 and Ng(CCH)6, (Ng=Xe or Kr).
The Journal of chemical physics 2006;124(23):231103.
2006: Li Sheng; Arik Cohen; R Benny Gerber
Theoretical prediction of chemically bound compounds made of argon and hydrocarbons.
Journal of the American Chemical Society 2006;128(22):7156-7.
2006: K A Ramazan; L M Wingen; Yifat Miller; Galina M Chaban; R Benny Gerber; S S Xantheas; Barbara J Finlayson-Pitts
New experimental and theoretical approach to the heterogeneous hydrolysis of NO2: key role of molecular nitric acid and its complexes.
The journal of physical chemistry. A 2006;110(21):6886-97.
2006: Yifat Miller; Galina M Chaban; Barbara J Finlayson-Pitts; R Benny Gerber
Photochemical processes induced by vibrational overtone excitations: dynamics simulations for cis-HONO, trans-HONO, HNO3, and HNO3-H2O.
The journal of physical chemistry. A 2006;110(16):5342-54.
2005: Brina Brauer; R Benny Gerber; Martin Kabelác; Pavel Hobza; Joost M Bakker; Ali Abo-Riziq; Mattanjah de vries
Vibrational spectroscopy of the G...C base pair: experiment, harmonic and anharmonic calculations, and the nature of the anharmonic couplings.
The journal of physical chemistry. A 2005;109(31):6974-84.
2005: Yifat Miller; Galina M Chaban; R Benny Gerber
Ab initio vibrational calculations for H2SO4 and H2SO4 x H2O: spectroscopy and the nature of the anharmonic couplings.
The journal of physical chemistry. A 2005;109(29):6565-74.
2005: Dorit Shemesh; R Benny Gerber
Different chemical dynamics for different conformers of biological molecules: photoionization of glycine.
The Journal of chemical physics 2005;122(24):241104.
2005: Dorit Shemesh; Roi Baer; Tamar Seideman; R Benny Gerber
Photoionization dynamics of glycine adsorbed on a silicon cluster: "on-the-fly" simulations.
The Journal of chemical physics 2005;122(18):184704.
2005: Eric C Brown; Arik Cohen; R Benny Gerber
Prediction of a linear polymer made of xenon and carbon.
The Journal of chemical physics 2005;122(17):171101.
2005: Carrie A Brindle; Galina M Chaban; R Benny Gerber; Kenneth C Janda
Anharmonic vibrational spectroscopy calculations for (NH3)(HF) and (NH3)(DF): fundamental, overtone, and combination transitions.
Physical chemistry chemical physics : PCCP 2005;7(5):945-54.
2004: N Hendrik Nahler; Michal Farnik; Udo Buck; Holger Vach; R Benny Gerber
Photodissociation of HCl and small (HCl)m complexes in and on large Ar n clusters.
The Journal of chemical physics 2004;121(3):1293-302.
2003: Leonid Khriachtchev; Hanna Tanskanen; Arik Cohen; R Benny Gerber; Jan Lundell; Mika Pettersson; Harri Kiljunen; Markku Räsänen
A gate to organokrypton chemistry: HKrCCH.
Journal of the American Chemical Society 2003;125(23):6876-7.
2003: R Benny Gerber; Galina M Chaban; S K Gregurick; B Brauer
Vibrational spectroscopy and the development of new force fields for biological molecules.
Biopolymers 2003;68(3):370-82.
2002: Galina M Chaban; R Benny Gerber
Ab initio calculations of anharmonic vibrational spectroscopy for hydrogen fluoride (HF)n (n = 3, 4) and mixed hydrogen fluoride/water (HF)n(H2O)n (n = 1, 2, 4) clusters.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 2002;58(4):887-98.