PubRank

R Benny Gerber

Author PubWeight™ 25.60‹?›

Top papers

Rank Title Journal Year PubWeight™‹?›
1 Chlorine activation indoors and outdoors via surface-mediated reactions of nitrogen oxides with hydrogen chloride. Proc Natl Acad Sci U S A 2009 1.22
2 Simplified mechanism for new particle formation from methanesulfonic acid, amines, and water via experiments and ab initio calculations. Proc Natl Acad Sci U S A 2012 1.12
3 Early structural evolution of native cytochrome c after solvent removal. Chembiochem 2008 1.00
4 Conformational evolution of ubiquitin ions in electrospray mass spectrometry: molecular dynamics simulations at gradually increasing temperatures. Phys Chem Chem Phys 2008 0.92
5 New particle formation and growth from methanesulfonic acid, trimethylamine and water. Phys Chem Chem Phys 2015 0.91
6 The dynamics of water evaporation from partially solvated cytochrome c in the gas phase. Phys Chem Chem Phys 2007 0.90
7 A gate to organokrypton chemistry: HKrCCH. J Am Chem Soc 2003 0.86
8 Noble-gas hydrides: new chemistry at low temperatures. Acc Chem Res 2009 0.85
9 Vibrational self-consistent field calculations for spectroscopy of biological molecules: new algorithmic developments and applications. Phys Chem Chem Phys 2013 0.85
10 Vibrational spectroscopy of the G...C base pair: experiment, harmonic and anharmonic calculations, and the nature of the anharmonic couplings. J Phys Chem A 2005 0.85
11 On the number of significant mode-mode anharmonic couplings in vibrational calculations: Correlation-corrected vibrational self-consistent field treatment of di-, tri-, and tetrapeptides. J Chem Phys 2008 0.84
12 Ultrafast phase transitions in metastable water near liquid interfaces. Faraday Discuss 2009 0.84
13 Critical size for intracluster proton transfer from water to an anion. Angew Chem Int Ed Engl 2008 0.82
14 Anharmonic vibrational calculations modeling the raman spectra of intermediates in the photoactive yellow protein (PYP) photocycle. J Am Chem Soc 2007 0.81
15 Dynamics of proton recombination with NO3- anion in water clusters. Phys Chem Chem Phys 2008 0.80
16 Structure of large nitrate-water clusters at ambient temperatures: simulations with effective fragment potentials and force fields with implications for atmospheric chemistry. J Phys Chem A 2009 0.80
17 Monosaccharide-water complexes: vibrational spectroscopy and anharmonic potentials. J Phys Chem A 2012 0.80
18 Calculation of vibrational transition frequencies and intensities in water dimer: comparison of different vibrational approaches. J Phys Chem A 2008 0.79
19 Ionization of N2O4 in contact with water: mechanism, time scales and atmospheric implications. J Am Chem Soc 2009 0.79
20 Prediction of a linear polymer made of xenon and carbon. J Chem Phys 2005 0.79
21 Interaction and reaction of the hydroxyl ion with β-D-galactose and its hydrated complex: an ab initio molecular dynamics study. Phys Chem Chem Phys 2012 0.79
22 Vibrational spectroscopy of triacetone triperoxide (TATP): anharmonic fundamentals, overtones and combination bands. Spectrochim Acta A Mol Biomol Spectrosc 2008 0.78
23 Absorption spectra and photolysis of methyl peroxide in liquid and frozen water. J Phys Chem A 2012 0.78
24 Vibrational spectroscopy of protonated imidazole and its complexes with water molecules: ab initio anharmonic calculations and experiments. J Phys Chem A 2007 0.78
25 First-principles anharmonic quantum calculations for peptide spectroscopy: VSCF calculations and comparison with experiments. Phys Chem Chem Phys 2015 0.78
26 Isomerization and decomposition of a Criegee intermediate in the ozonolysis of alkenes: dynamics using a multireference potential. Angew Chem Int Ed Engl 2013 0.78
27 Conformational transitions of glycine induced by vibrational excitation of the O-H stretch. Phys Chem Chem Phys 2010 0.77
28 Isotopic hydration of cellobiose: vibrational spectroscopy and dynamical simulations. J Phys Chem A 2011 0.77
29 Dynamics of triplet-state photochemistry of pentanal: mechanisms of Norrish I, Norrish II, and H abstraction reactions. J Phys Chem A 2013 0.76
30 New organic noble gas molecules: energetics, stability and potential energy surfaces of HCCXeCCH and HCCKrCCH. Phys Chem Chem Phys 2006 0.76
31 Direct visualization of the H-Xe bond in xenon hydrides: xenon isotopic shift in the IR spectra. J Chem Phys 2009 0.76
32 Raman spectra of long chain hydrocarbons: anharmonic calculations, experiment and implications for imaging of biomembranes. Phys Chem Chem Phys 2011 0.76
33 High coordination chemically bound compounds of noble gases with hydrocarbons: Ng(CCH)4 and Ng(CCH)6, (Ng=Xe or Kr). J Chem Phys 2006 0.76
34 Photodissociation of HCl and small (HCl)m complexes in and on large Ar n clusters. J Chem Phys 2004 0.76
35 Photochemistry of aldehyde clusters: cross-molecular versus unimolecular reaction dynamics. Phys Chem Chem Phys 2014 0.75
36 A tandem in situ peptide cyclization through trifluoroacetic acid cleavage. Angew Chem Int Ed Engl 2014 0.75
37 Photoionization dynamics of glycine adsorbed on a silicon cluster: "on-the-fly" simulations. J Chem Phys 2005 0.75
38 Spectroscopy of the C-H stretching vibrational band in selected organic molecules. J Phys Chem A 2013 0.75
39 Hygroscopic growth and deliquescence of NaCl nanoparticles mixed with surfactant SDS. J Phys Chem B 2010 0.75
40 Vibrational spectra of α-glucose, β-glucose, and sucrose: anharmonic calculations and experiment. J Phys Chem A 2011 0.75
41 Tribute to Markku O. Räsänen. J Phys Chem A 2015 0.75
42 Dynamics of vibrational overtone excitations of H2SO4, H2SO4-H2O: hydrogen-hopping and photodissociation processes. J Am Chem Soc 2006 0.75
43 Approximate first-principles anharmonic calculations of polyatomic spectra using MP2 and B3LYP potentials: comparisons with experiment. J Phys Chem A 2014 0.75
44 When a proton attacks cellobiose in the gas phase: ab initio molecular dynamics simulations. Phys Chem Chem Phys 2013 0.75
45 Reaction of a charge-separated ONONO2 species with water in the formation of HONO: an MP2 Molecular Dynamics study. Phys Chem Chem Phys 2014 0.75
46 Tributes to Victoria Buch. J Phys Chem A 2011 0.75
47 Classical trajectory simulations of photoionization dynamics of tryptophan: intramolecular energy flow, hydrogen-transfer processes and conformational transitions. J Phys Chem A 2006 0.75
48 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. Spectrochim Acta A Mol Biomol Spectrosc 2002 0.75
49 Migration and chemical reaction of H+ in protonated β-galactose. Phys Chem Chem Phys 2012 0.75
50 Proton transfer and dissociation of GlyLysH+ following O-H and N-H stretching mode excitations: dynamics simulations. J Am Chem Soc 2011 0.75
51 Theoretical prediction of chemically bound compounds made of argon and hydrocarbons. J Am Chem Soc 2006 0.75
52 A new hybrid algorithm for finding the lowest minima of potential surfaces: approach and application to peptides. J Comput Chem 2011 0.75
53 A small neutral molecule with two noble-gas atoms: HXeOXeH. J Am Chem Soc 2008 0.75
54 Chemically-bound xenon in fibrous silica. Phys Chem Chem Phys 2014 0.75
55 Mechanism for formation of atmospheric Cl atom precursors in the reaction of dinitrogen oxides with HCl/Cl(-) on aqueous films. Phys Chem Chem Phys 2015 0.75
56 First and second deprotonation of H₂SO₄ on wet hydroxylated (0001) α-quartz. Phys Chem Chem Phys 2014 0.75
57 Nitrogen dioxide at the air-water interface: trapping, absorption, and solvation in the bulk and at the surface. Phys Chem Chem Phys 2012 0.75
58 High resolution absolute absorption cross sections of the B[combining tilde](1)A'-X[combining tilde](1)A' transition of the CH2OO biradical. Phys Chem Chem Phys 2015 0.75
59 Complexes of HNO3 and NO3 - with NO2 and N2O4, and their potential role in atmospheric HONO formation. Phys Chem Chem Phys 2008 0.75
60 Temperature and collision energy effects on dissociation of hydrochloric acid on water surfaces. Phys Chem Chem Phys 2016 0.75
61 Predicted stability and structure of (HXeCCH)n (n=2 or 4) clusters and of crystalline HXeCCH. J Chem Phys 2007 0.75
62 Catalytic role for water in the atmospheric production of ClNO. J Phys Chem A 2010 0.75
63 Raman spectra of complexes of HNO3 and NO3- with NO2 at surfaces and with N2O4 in solution. Phys Chem Chem Phys 2008 0.75
64 Vibrational spectroscopy of (SO4(2-)).(H2O)n clusters, n=1-5: harmonic and anharmonic calculations and experiment. J Chem Phys 2007 0.75
65 A highly efficient in situ N-acetylation approach for solid phase synthesis. Org Biomol Chem 2014 0.75
66 Anharmonic vibrational spectroscopy calculations for (NH3)(HF) and (NH3)(DF): fundamental, overtone, and combination transitions. Phys Chem Chem Phys 2005 0.75
67 Photooxidation of ammonia on TiO2 as a source of NO and NO2 under atmospheric conditions. J Am Chem Soc 2013 0.75
68 Stability and structure of oligomers and polymers made of xenon and hydrocarbons: theoretical predictions. J Chem Phys 2006 0.75
69 Predicted compounds of radon with acetylene and water. Phys Chem Chem Phys 2010 0.75
70 Destabilization of noble-gas hydrides by a water environment: calculations for HXeOH@(H2O)n, HXeOXeH@(H2O)n, HXeBr@(H2O)n, HXeCCH@(H2O)n. Phys Chem Chem Phys 2013 0.75
71 Computational studies of protonated β-D-galactose and its hydrated complex: structures, interactions, proton transfer dynamics, and spectroscopy. J Phys Chem B 2012 0.75
72 Stability of noble-gas hydrocarbons in an organic liquid-like environment: HXeCCH in acetylene. Phys Chem Chem Phys 2011 0.75