| Year |
Citation |
Score |
| 2020 |
Roy TK, Gerber RB. Dual Basis Approach for Ab Initio Anharmonic Calculations of Vibrational Spectroscopy: Application to Micro-Solvated Biomolecules. Journal of Chemical Theory and Computation. PMID 32991804 DOI: 10.1021/acs.jctc.0c00725 |
1 |
|
| 2020 |
Shemesh D, Luo M, Grassian VH, Gerber RB. Absorption spectra of pyruvic acid in water: insights from calculations for small hydrates and comparison to experiment. Physical Chemistry Chemical Physics : Pccp. PMID 32458893 DOI: 10.1039/d0cp01810d |
1 |
|
| 2020 |
Luo M, Shemesh D, Sullivan MN, Alves MR, Song M, Gerber RB, Grassian VH. The Impact of pH and NaCl and CaCl Salts on the Speciation and Photochemistry of Pyruvic Acid in the Aqueous Phase. The Journal of Physical Chemistry. A. PMID 32441097 DOI: 10.1021/acs.jpca.0c01016 |
1 |
|
| 2020 |
Mitra S, Duong CH, McCaslin LM, Gerber RB, Johnson MA. Correction: Isomer-specific cryogenic ion vibrational spectroscopy of the D tagged Cs(HNO)(HO) complexes: ion-driven enhancement of the acidic H-bond to water. Physical Chemistry Chemical Physics : Pccp. PMID 32129432 DOI: 10.1039/d0cp90054k |
0.56 |
|
| 2020 |
Karimova NV, Luo M, Grassian VH, Gerber RB. Absorption spectra of benzoic acid in water at different pH and in the presence of salts: insights from the integration of experimental data and theoretical cluster models. Physical Chemistry Chemical Physics : Pccp. PMID 32077456 DOI: 10.1039/c9cp06728k |
0.56 |
|
| 2020 |
Mitra S, Duong CH, McCaslin LM, Gerber RB, Johnson MA. Isomer-specific cryogenic ion vibrational spectroscopy of the D tagged Cs(HNO)(HO) complexes: ion-driven enhancement of the acidic H-bond to water. Physical Chemistry Chemical Physics : Pccp. PMID 32068217 DOI: 10.1039/c9cp06689f |
0.56 |
|
| 2020 |
Perraud V, Xu J, Gerber RB, Finlayson-Pitts BJ. Integrated experimental and theoretical approach to probe the synergistic effect of ammonia in methanesulfonic acid reactions with small alkylamines. Environmental Science. Processes & Impacts. PMID 31904037 DOI: 10.1039/c9em00431a |
1 |
|
| 2019 |
Karimova NV, Chen J, Gord JR, Staudt S, Bertram TH, Nathanson GM, Gerber RB. S2 Reactions of NO with Ions in Water: Microscopic Mechanisms, Intermediates, and Products. The Journal of Physical Chemistry. A. PMID 31880456 DOI: 10.1021/acs.jpca.9b09095 |
0.56 |
|
| 2019 |
Sagiv L, Hirshberg B, Gerber RB. Hydrogenic Stretch Spectroscopy of Glycine-Water Complexes: Anharmonic Ab Initio Classical Separable Potential Calculations. The Journal of Physical Chemistry. A. 123: 8377-8384. PMID 31538481 DOI: 10.1021/acs.jpca.9b05378 |
1 |
|
| 2019 |
Gantman T, Goldstein M, Segev E, Gerber RB. Conformers of Ubiquitin 6+ for Different Charge Distributions: Atomistic Structures and Ion Mobility Cross Sections. The Journal of Physical Chemistry. B. PMID 31268716 DOI: 10.1021/acs.jpcb.9b02720 |
1 |
|
| 2019 |
McCaslin LM, Johnson MA, Gerber RB. Mechanisms and competition of halide substitution and hydrolysis in reactions of NO with seawater. Science Advances. 5: eaav6503. PMID 31183400 DOI: 10.1126/sciadv.aav6503 |
0.56 |
|
| 2019 |
Karimova NV, McCaslin LM, Gerber RB. Ion reactions in atmospherically-relevant clusters: mechanisms, dynamics and spectroscopic signatures. Faraday Discussions. PMID 31111128 DOI: 10.1039/c8fd00230d |
0.56 |
|
| 2018 |
Roy TK, Kopysov V, Pereverzev A, Šebek J, Gerber RB, Boyarkin OV. Intrinsic structure of pentapeptide Leu-enkephalin: geometry optimization and validation by comparison of VSCF-PT2 calculations with cold ion spectroscopy. Physical Chemistry Chemical Physics : Pccp. PMID 30234204 DOI: 10.1039/c8cp03989e |
1 |
|
| 2018 |
Hänninen V, Murdachaew G, Nathanson GM, Gerber RB, Halonen L. Ab initio molecular dynamics studies of formic acid dimer colliding with liquid water. Physical Chemistry Chemical Physics : Pccp. PMID 30191926 DOI: 10.1039/c8cp03857k |
1 |
|
| 2018 |
Xu J, Perraud V, Finlayson-Pitts BJ, Gerber RB. Uptake of water by an acid-base nanoparticle: theoretical and experimental studies of the methanesulfonic acid-methylamine system. Physical Chemistry Chemical Physics : Pccp. PMID 30123899 DOI: 10.1039/c8cp03634a |
1 |
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| 2018 |
Hirshberg B, Rossich Molina E, Götz AW, Hammerich AD, Nathanson GM, Bertram TH, Johnson MA, Gerber RB. NO at water surfaces: binding forces, charge separation, energy accommodation and atmospheric implications. Physical Chemistry Chemical Physics : Pccp. PMID 29926059 DOI: 10.1039/c8cp03022g |
1 |
|
| 2018 |
Shemesh D, Gerber RB. Molecular Dynamics of Photoinduced Reactions of Acrylic Acid: Products, Mechanisms and Comparison with Experiment. The Journal of Physical Chemistry Letters. PMID 29325414 DOI: 10.1021/acs.jpclett.7b03015 |
1 |
|
| 2017 |
Xu J, Finlayson-Pitts BJ, Gerber RB. Nanoparticles grown from methanesulfonic acid and methylamine: microscopic structures and formation mechanism. Physical Chemistry Chemical Physics : Pccp. 19: 31949-31957. PMID 29177355 DOI: 10.1039/c7cp06489f |
1 |
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| 2017 |
Roy TK, Nagornova NS, Boyarkin OV, Gerber RB. A Decapeptide Hydrated by Two Waters: Conformers Determined by Theory and Validated by Cold Ion Spectroscopy. The Journal of Physical Chemistry. A. PMID 29091429 DOI: 10.1021/acs.jpca.7b10357 |
1 |
|
| 2017 |
Arquero KD, Xu J, Gerber RB, Finlayson-Pitts BJ. Particle formation and growth from oxalic acid, methanesulfonic acid, trimethylamine and water: a combined experimental and theoretical study. Physical Chemistry Chemical Physics : Pccp. PMID 29028063 DOI: 10.1039/c7cp04468b |
1 |
|
| 2017 |
Kelleher PJ, Menges FS, DePalma JW, Denton JK, Johnson MA, Weddle GH, Hirshberg B, Gerber RB. Trapping and Structural Characterization of the XNO2·NO3- (X = Cl, Br, I) Exit Channel Complexes in the Water-Mediated X- + N2O5 Reactions with Cryogenic Vibrational Spectroscopy. The Journal of Physical Chemistry Letters. PMID 28898581 DOI: 10.1021/acs.jpclett.7b02120 |
1 |
|
| 2017 |
Naoum JN, Chandra K, Shemesh D, Gerber RB, Gilon C, Hurevich M. DMAP-assisted sulfonylation as an efficient step for the methylation of primary amine motifs on solid support. Beilstein Journal of Organic Chemistry. 13: 806-816. PMID 28546838 DOI: 10.3762/bjoc.13.81 |
1 |
|
| 2017 |
Xu J, Finlayson-Pitts BJ, Gerber RB. Proton Transfer in Mixed Clusters of Methanesulfonic Acid, Methylamine, and Oxalic Acid: Implications for Atmospheric Particle Formation. The Journal of Physical Chemistry. A. 121: 2377-2385. PMID 28287734 DOI: 10.1021/acs.jpca.7b01223 |
1 |
|
| 2017 |
Hirshberg B, Sagiv L, Gerber RB. Approximate Quantum Dynamics using Ab Initio Classical Separable Potentials: Spectroscopic Applications. Journal of Chemical Theory and Computation. 13: 982-991. PMID 28177631 DOI: 10.1021/acs.jctc.6b01129 |
1 |
|
| 2017 |
Arquero KD, Gerber RB, Finlayson-Pitts BJ. The Role of Oxalic Acid in New Particle Formation from Methanesulfonic Acid, Methylamine, and Water. Environmental Science & Technology. 51: 2124-2130. PMID 28117992 DOI: 10.1021/acs.est.6b05056 |
1 |
|
| 2017 |
Chen H, Ezell MJ, Arquero KD, Varner ME, Dawson ML, Gerber RB, Finlayson-Pitts BJ. Correction: New particle formation and growth from methanesulfonic acid, trimethylamine and water. Physical Chemistry Chemical Physics : Pccp. 19: 4893. PMID 28117464 DOI: 10.1039/c7cp90021j |
1 |
|
| 2017 |
Aregahegn KZ, Shemesh D, Gerber RB, Finlayson-Pitts BJ. Photochemistry of Thin Solid Films of the Neonicotinoid Imidacloprid on Surfaces. Environmental Science & Technology. 51: 2660-2668. PMID 27989110 DOI: 10.1021/acs.est.6b04842 |
1 |
|
| 2016 |
Shemesh D, Nizkorodov SA, Gerber RB. Photochemical Reactions of Cyclohexanone: Mechanisms and Dynamics. The Journal of Physical Chemistry. A. 120: 7112-20. PMID 27525541 DOI: 10.1021/acs.jpca.6b06184 |
1 |
|
| 2016 |
Hirshberg B, Gerber RB. Formation of Carbonic Acid in Impact of CO2 on Ice and Water. The Journal of Physical Chemistry Letters. 7: 2905-9. PMID 27420400 DOI: 10.1021/acs.jpclett.6b01109 |
1 |
|
| 2016 |
Partanen L, Murdachaew G, Gerber RB, Halonen L. Temperature and collision energy effects on dissociation of hydrochloric acid on water surfaces. Physical Chemistry Chemical Physics : Pccp. 18: 13432-42. PMID 27126973 DOI: 10.1039/c6cp00597g |
1 |
|
| 2016 |
Knaanie R, Šebek J, Tsuge M, Myllys N, Khriachtchev L, Räsänen M, Albee B, Potma EO, Gerber RB. Infrared Spectrum of Toluene: Comparison of Anharmonic Isolated-Molecule Calculations and Experiments in Liquid Phase and in a Ne Matrix. The Journal of Physical Chemistry. A. 120: 3380-9. PMID 27116090 DOI: 10.1021/acs.jpca.6b01604 |
1 |
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| 2016 |
Kalinowski J, Foreman ES, Kapnas KM, Murray C, Räsänen M, Gerber RB. Dynamics and spectroscopy of CH₂OO excited electronic states. Physical Chemistry Chemical Physics : Pccp. 18: 10941-6. PMID 27040614 DOI: 10.1039/c6cp00807k |
1 |
|
| 2016 |
Cohen A, Gerber RB. A Noble-Gas Hydride in a Nitrogen Medium: Structure, Spectroscopy and Intermolecular Vibrations of HXeBr@(N2)22. The Journal of Physical Chemistry. A. PMID 27018537 DOI: 10.1021/acs.jpca.6b01476 |
1 |
|
| 2016 |
Roy TK, Sharma R, Gerber RB. First-principles anharmonic quantum calculations for peptide spectroscopy: VSCF calculations and comparison with experiments. Physical Chemistry Chemical Physics : Pccp. 18: 1607-14. PMID 26673682 DOI: 10.1039/c5cp05979h |
1 |
|
| 2016 |
Chen H, Varner ME, Gerber RB, Finlayson-Pitts BJ. Reactions of Methanesulfonic Acid with Amines and Ammonia as a Source of New Particles in Air. The Journal of Physical Chemistry. B. 120: 1526-36. PMID 26379061 DOI: 10.1021/acs.jpcb.5b07433 |
1 |
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| 2015 |
Foreman ES, Kapnas KM, Jou Y, Kalinowski J, Feng D, Gerber RB, Murray C. High resolution absolute absorption cross sections of the B ̃(1)A'-X ̃(1)A' transition of the CH2OO biradical. Physical Chemistry Chemical Physics : Pccp. 17: 32539-46. PMID 26595457 DOI: 10.1039/c5cp04977f |
1 |
|
| 2015 |
Perraud V, Horne JR, Martinez AS, Kalinowski J, Meinardi S, Dawson ML, Wingen LM, Dabdub D, Blake DR, Gerber RB, Finlayson-Pitts BJ. The future of airborne sulfur-containing particles in the absence of fossil fuel sulfur dioxide emissions. Proceedings of the National Academy of Sciences of the United States of America. 112: 13514-9. PMID 26483454 DOI: 10.1073/pnas.1510743112 |
1 |
|
| 2015 |
Hammerich AD, Finlayson-Pitts BJ, Gerber RB. Mechanism for formation of atmospheric Cl atom precursors in the reaction of dinitrogen oxides with HCl/Cl(-) on aqueous films. Physical Chemistry Chemical Physics : Pccp. 17: 19360-70. PMID 26140681 DOI: 10.1039/c5cp02664d |
1 |
|
| 2015 |
Chen H, Ezell MJ, Arquero KD, Varner ME, Dawson ML, Gerber RB, Finlayson-Pitts BJ. New particle formation and growth from methanesulfonic acid, trimethylamine and water. Physical Chemistry Chemical Physics : Pccp. 17: 13699-709. PMID 25942743 DOI: 10.1039/c5cp00838g |
1 |
|
| 2015 |
Chandra K, Naoum JN, Roy TK, Gilon C, Gerber RB, Friedler A. Mechanistic studies of malonic acid-mediated in situ acylation. Biopolymers. 104: 495-505. PMID 25846609 DOI: 10.1002/bip.22654 |
1 |
|
| 2015 |
Khriachtchev L, Pettersson M, Gerber RB. Tribute to Markku O. Räsänen. The Journal of Physical Chemistry. A. 119: 2187-90. PMID 25787839 DOI: 10.1021/jp5115948 |
1 |
|
| 2015 |
Roy TK, Kopysov V, Nagornova NS, Rizzo TR, Boyarkin OV, Gerber RB. Conformational structures of a decapeptide validated by first principles calculations and cold ion spectroscopy. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 16: 1374-8. PMID 25721337 DOI: 10.1002/cphc.201500085 |
1 |
|
| 2015 |
Gerber RB, Varner ME, Hammerich AD, Riikonen S, Murdachaew G, Shemesh D, Finlayson-Pitts BJ. Computational studies of atmospherically-relevant chemical reactions in water clusters and on liquid water and ice surfaces. Accounts of Chemical Research. 48: 399-406. PMID 25647299 DOI: 10.1021/ar500431g |
1 |
|
| 2015 |
Tsuge M, Kalinowski J, Gerber RB, Lee YP. Infrared identification of proton-bound rare-gas dimers (XeHXe)⁺, (KrHKr)⁺, and (KrHXe)⁺ and their deuterated species in solid hydrogen. The Journal of Physical Chemistry. A. 119: 2651-60. PMID 25371996 DOI: 10.1021/jp5097037 |
1 |
|
| 2015 |
Kalinowski J, Heinonen P, Kilpeläinen I, Räsänen M, Gerber RB. Stability of Criegee intermediates formed by ozonolysis of different double bonds. The Journal of Physical Chemistry. A. 119: 2318-25. PMID 25188402 DOI: 10.1021/jp506525g |
1 |
|
| 2015 |
Romonosky DE, Nguyen LQ, Shemesh D, Nguyen TB, Epstein SA, Martin DBC, Vanderwal CD, Gerber RB, Nizkorodov SA. Absorption spectra and aqueous photochemistry of β-hydroxyalkyl nitrates of atmospheric interest Molecular Physics. DOI: 10.1080/00268976.2015.1017020 |
1 |
|
| 2015 |
Hammerich AD, Finlayson-Pitts BJ, Gerber RB. Mechanism for formation of atmospheric Cl atom precursors in the reaction of dinitrogen oxides with HCl/Cl- on aqueous films Physical Chemistry Chemical Physics. 17: 19360-19370. DOI: 10.1039/c5cp02664d |
1 |
|
| 2014 |
Shemesh D, Blair SL, Nizkorodov SA, Gerber RB. Photochemistry of aldehyde clusters: cross-molecular versus unimolecular reaction dynamics. Physical Chemistry Chemical Physics : Pccp. 16: 23861-8. PMID 25273824 DOI: 10.1039/c4cp03130j |
1 |
|
| 2014 |
Murdachaew G, Gaigeot MP, Halonen L, Gerber RB. First and second deprotonation of H₂SO₄ on wet hydroxylated (0001) α-quartz. Physical Chemistry Chemical Physics : Pccp. 16: 22287-98. PMID 25219794 DOI: 10.1039/c4cp02752c |
1 |
|
| 2014 |
Roy TK, Carrington T, Gerber RB. Approximate first-principles anharmonic calculations of polyatomic spectra using MP2 and B3LYP potentials: comparisons with experiment. The Journal of Physical Chemistry. A. 118: 6730-9. PMID 24977304 DOI: 10.1021/jp5060155 |
1 |
|
| 2014 |
Riikonen S, Parkkinen P, Halonen L, Gerber RB. Ionization of acids on the quasi-liquid layer of ice. The Journal of Physical Chemistry. A. 118: 5029-37. PMID 24927623 DOI: 10.1021/jp505627n |
1 |
|
| 2014 |
Murdachaew G, Varner ME, van der Veer WE, Gerber RB, Phillips LF. Raman spectroscopy of solutions and interfaces containing nitrogen dioxide, water, and 1,4 dioxane: evidence for repulsion of surface water by NO2 gas. The Journal of Chemical Physics. 140: 184702. PMID 24832294 DOI: 10.1063/1.4874640 |
1 |
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| 2014 |
Chandra K, Roy TK, Shalev DE, Loyter A, Gilon C, Gerber RB, Friedler A. A tandem in situ peptide cyclization through trifluoroacetic acid cleavage. Angewandte Chemie (International Ed. in English). 53: 9450-5. PMID 24827640 DOI: 10.1002/anie.201402789 |
1 |
|
| 2014 |
Kalinowski J, Räsänen M, Gerber RB. Chemically-bound xenon in fibrous silica. Physical Chemistry Chemical Physics : Pccp. 16: 11658-61. PMID 24807740 DOI: 10.1039/c4cp01355g |
1 |
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| 2014 |
Kalinowski J, Gerber RB, Räsänen M, Lignell A, Khriachtchev L. Matrix effect on vibrational frequencies: experiments and simulations for HCl and HNgCl (Ng = Kr and Xe). The Journal of Chemical Physics. 140: 094303. PMID 24606357 DOI: 10.1063/1.4866913 |
1 |
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| 2014 |
Gerber RB, Shemesh D, Varner ME, Kalinowski J, Hirshberg B. Ab initio and semi-empirical Molecular Dynamics simulations of chemical reactions in isolated molecules and in clusters. Physical Chemistry Chemical Physics : Pccp. 16: 9760-75. PMID 24569494 DOI: 10.1039/c3cp55239j |
1 |
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| 2014 |
Chandra K, Roy TK, Naoum JN, Gilon C, Gerber RB, Friedler A. A highly efficient in situ N-acetylation approach for solid phase synthesis. Organic & Biomolecular Chemistry. 12: 1879-84. PMID 24526269 DOI: 10.1039/c3ob42096e |
1 |
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| 2014 |
Varner ME, Finlayson-Pitts BJ, Gerber RB. Reaction of a charge-separated ONONO2 species with water in the formation of HONO: an MP2 Molecular Dynamics study. Physical Chemistry Chemical Physics : Pccp. 16: 4483-7. PMID 24473238 DOI: 10.1039/c3cp55024a |
1 |
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| 2014 |
Hirshberg B, Gerber RB, Krylov AI. Calculations predict a stable molecular crystal of N8. Nature Chemistry. 6: 52-6. PMID 24345947 DOI: 10.1038/nchem.1818 |
1 |
|
| 2014 |
Kalinowski J, Räsänen M, Heinonen P, Kilpeläinen I, Gerber RB. Isomerization and decomposition of a Criegee intermediate in the ozonolysis of alkenes: dynamics using a multireference potential. Angewandte Chemie (International Ed. in English). 53: 265-8. PMID 24227050 DOI: 10.1002/anie.201307286 |
1 |
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| 2014 |
Knaanie R, Šebek J, Kalinowski J, Gerber RB. Hybrid MP2/MP4 potential surfaces in VSCF calculations of IR spectra: Applications for organic molecules Spectrochimica Acta - Part a: Molecular and Biomolecular Spectroscopy. 119: 2-11. PMID 23838574 DOI: 10.1016/j.saa.2013.06.035 |
1 |
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| 2014 |
Dawson ML, Varner ME, Perraud V, Ezell MJ, Wilson J, Zelenyuk A, Gerber RB, Finlayson-Pitts BJ. Amine-amine exchange in aminium-methanesulfonate aerosols Journal of Physical Chemistry C. 118: 29431-29440. DOI: 10.1021/jp506560w |
1 |
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| 2014 |
Goldstein M, Zmiri L, Segev E, Wyttenbach T, Gerber RB. An atomistic structure of ubiquitin +13 relevant in mass spectrometry: Theoretical prediction and comparison with experimental cross sections International Journal of Mass Spectrometry. 367: 10-15. DOI: 10.1016/j.ijms.2014.04.013 |
1 |
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| 2014 |
Cohen A, Tsuge M, Khriachtchev L, Räsänen M, Gerber RB. Modeling of HXeBr in CO2 and Xe environments: Structure, energetics and vibrational spectra Chemical Physics Letters. 594: 18-22. DOI: 10.1016/j.cplett.2014.01.021 |
1 |
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| 2013 |
Riikonen S, Parkkinen P, Halonen L, Gerber RB. Ionization of Nitric Acid on Crystalline Ice: The Role of Defects and Collective Proton Movement. The Journal of Physical Chemistry Letters. 4: 1850-5. PMID 26283120 DOI: 10.1021/jz400531q |
1 |
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| 2013 |
Pincu M, Brauer B, Gerber RB. When a proton attacks cellobiose in the gas phase: ab initio molecular dynamics simulations. Physical Chemistry Chemical Physics : Pccp. 15: 15382-91. PMID 23936906 DOI: 10.1039/c3cp52220b |
1 |
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| 2013 |
Tsivion E, Räsänen M, Gerber RB. Destabilization of noble-gas hydrides by a water environment: calculations for HXeOH@(H2O)n, HXeOXeH@(H2O)n, HXeBr@(H2O)n, HXeCCH@(H2O)n. Physical Chemistry Chemical Physics : Pccp. 15: 12610-6. PMID 23787777 DOI: 10.1039/c3cp50932j |
1 |
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| 2013 |
Šebek J, Knaanie R, Albee B, Potma EO, Gerber RB. Spectroscopy of the C-H stretching vibrational band in selected organic molecules. The Journal of Physical Chemistry. A. 117: 7442-52. PMID 23773096 DOI: 10.1021/jp4014674 |
1 |
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| 2013 |
Shemesh D, Lan Z, Gerber RB. Dynamics of triplet-state photochemistry of pentanal: mechanisms of Norrish I, Norrish II, and H abstraction reactions. The Journal of Physical Chemistry. A. 117: 11711-24. PMID 23772671 DOI: 10.1021/jp401309b |
1 |
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| 2013 |
Kebede MA, Varner ME, Scharko NK, Gerber RB, Raff JD. Photooxidation of ammonia on TiO2 as a source of NO and NO2 under atmospheric conditions. Journal of the American Chemical Society. 135: 8606-15. PMID 23721064 DOI: 10.1021/ja401846x |
1 |
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| 2013 |
Roy TK, Gerber RB. Vibrational self-consistent field calculations for spectroscopy of biological molecules: new algorithmic developments and applications. Physical Chemistry Chemical Physics : Pccp. 15: 9468-92. PMID 23677257 DOI: 10.1039/c3cp50739d |
1 |
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| 2013 |
Murdachaew G, Varner ME, Phillips LF, Finlayson-Pitts BJ, Gerber RB. Nitrogen dioxide at the air-water interface: trapping, absorption, and solvation in the bulk and at the surface. Physical Chemistry Chemical Physics : Pccp. 15: 204-12. PMID 23160419 DOI: 10.1039/c2cp42810e |
1 |
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| 2013 |
Murdachaew G, Gaigeot MP, Halonen L, Gerber RB. Dissociation of HCl into ions on wet hydroxylated (0001) α-quartz Journal of Physical Chemistry Letters. 4: 3500-3507. DOI: 10.1021/jz4017969 |
1 |
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| 2013 |
Riikonen S, Parkkinen P, Halonen L, Gerber RB. Ionization of nitric acid on crystalline ice: The role of defects and collective proton movement Journal of Physical Chemistry Letters. 4: 1850-1855. DOI: 10.1021/jz400531q |
1 |
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| 2012 |
Hammerich AD, Finlayson-Pitts BJ, Gerber RB. NOx Reactions on Aqueous Surfaces with Gaseous HCl: Formation of a Potential Precursor to Atmospheric Cl Atoms. The Journal of Physical Chemistry Letters. 3: 3405-10. PMID 26290963 DOI: 10.1021/jz3014985 |
1 |
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| 2012 |
Dawson ML, Varner ME, Perraud V, Ezell MJ, Gerber RB, Finlayson-Pitts BJ. 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. 109: 18719-24. PMID 23090988 DOI: 10.1073/pnas.1211878109 |
1 |
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| 2012 |
Jin L, Gerber RB. Migration and chemical reaction of H+ in protonated β-galactose. Physical Chemistry Chemical Physics : Pccp. 14: 13522-6. PMID 22968260 DOI: 10.1039/c2cp41766a |
1 |
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| 2012 |
Xie HB, Gerber RB. 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. 14: 12086-9. PMID 22864300 DOI: 10.1039/c2cp41593c |
1 |
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| 2012 |
Jin L, Simons JP, Gerber RB. Monosaccharide-water complexes: vibrational spectroscopy and anharmonic potentials. The Journal of Physical Chemistry. A. 116: 11088-94. PMID 22559823 DOI: 10.1021/jp303080k |
1 |
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| 2012 |
Xie HB, Jin L, Rudić S, Simons JP, Gerber RB. Computational studies of protonated β-D-galactose and its hydrated complex: structures, interactions, proton transfer dynamics, and spectroscopy. The Journal of Physical Chemistry. B. 116: 4851-9. PMID 22489826 DOI: 10.1021/jp3028325 |
1 |
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| 2012 |
Epstein SA, Shemesh D, Tran VT, Nizkorodov SA, Gerber RB. Absorption spectra and photolysis of methyl peroxide in liquid and frozen water. The Journal of Physical Chemistry. A. 116: 6068-77. PMID 22217262 DOI: 10.1021/jp211304v |
1 |
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| 2012 |
Shemesh D, Gerber RB. Femtosecond timescale deactivation of electronically excited peroxides at ice surfaces Molecular Physics. 110: 605-617. DOI: 10.1080/00268976.2012.666279 |
1 |
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| 2012 |
Rudi? S, Xie HB, Gerber RB, Simons JP. Protonated sugars: Vibrational spectroscopy and conformational structure of protonated O-methyl α-D-galactopyranoside Molecular Physics. 110: 1609-1615. DOI: 10.1080/00268976.2012.660206 |
1 |
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| 2012 |
Gerber RB, Tsivion E, Khriachtchev L, Räsänen M. Intrinsic lifetimes and kinetic stability in media of noble-gas hydrides Chemical Physics Letters. 545: 1-8. DOI: 10.1016/j.cplett.2012.05.069 |
1 |
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| 2012 |
Kalinowski J, Räsänen M, Gerber RB. Mechanism and electronic transition in the Cl + O 3 → ClO + O 2 reaction: On the fly dynamics simulations with multi-reference potentials Chemical Physics Letters. 535: 44-48. DOI: 10.1016/j.cplett.2012.03.068 |
1 |
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| 2012 |
Pincu M, Gerber RB. Hydration of cellobiose: Structure and dynamics of cellobiose -(H 2O) n, n = 5-25 Chemical Physics Letters. 531: 52-58. DOI: 10.1016/j.cplett.2012.02.019 |
1 |
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| 2012 |
Hirshberg B, Gerber RB. Decomposition mechanisms and dynamics of N 6: Bond orders and partial charges along classical trajectories Chemical Physics Letters. 531: 46-51. DOI: 10.1016/j.cplett.2012.01.088 |
1 |
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| 2012 |
Lignell H, Varner ME, Finlayson-Pitts BJ, Benny Gerber R. Isomerization and ionization of N 2O 4 on model ice and silica surfaces Chemical Physics. 405: 52-59. DOI: 10.1016/j.chemphys.2012.06.006 |
0.32 |
|
| 2011 |
Tsivion E, Gerber RB. Stability of noble-gas hydrocarbons in an organic liquid-like environment: HXeCCH in acetylene. Physical Chemistry Chemical Physics : Pccp. 13: 19601-6. PMID 21986720 DOI: 10.1039/c1cp22607j |
1 |
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| 2011 |
Shmilovits-Ofir M, Gerber RB. Proton transfer and dissociation of GlyLysH+ following O-H and N-H stretching mode excitations: dynamics simulations. Journal of the American Chemical Society. 133: 16510-7. PMID 21877725 DOI: 10.1021/ja205634b |
0.04 |
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| 2011 |
Gerber RB, Devlin JP, Jungwirth P. Tributes to Victoria Buch. The Journal of Physical Chemistry. A. 115: 5709-14. PMID 21671667 DOI: 10.1021/jp202297m |
1 |
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| 2011 |
Šebek J, Pele L, Potma EO, Gerber RB. Raman spectra of long chain hydrocarbons: anharmonic calculations, experiment and implications for imaging of biomembranes. Physical Chemistry Chemical Physics : Pccp. 13: 12724-33. PMID 21670823 DOI: 10.1039/c1cp20618d |
1 |
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| 2011 |
Pincu M, Cocinero EJ, Mayorkas N, Brauer B, Davis BG, Gerber RB, Simons JP. Isotopic hydration of cellobiose: vibrational spectroscopy and dynamical simulations. The Journal of Physical Chemistry. A. 115: 9498-509. PMID 21631124 DOI: 10.1021/jp112109p |
1 |
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| 2011 |
Goldstein M, Fredj E, Gerber RB. A new hybrid algorithm for finding the lowest minima of potential surfaces: approach and application to peptides. Journal of Computational Chemistry. 32: 1785-800. PMID 21455953 DOI: 10.1002/jcc.21755 |
1 |
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| 2011 |
Brauer B, Pincu M, Buch V, Bar I, Simons JP, Gerber RB. Vibrational spectra of α-glucose, β-glucose, and sucrose: anharmonic calculations and experiment. The Journal of Physical Chemistry. A. 115: 5859-72. PMID 21391638 DOI: 10.1021/jp110043k |
1 |
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| 2011 |
Shmilovits-Ofir M, Miller Y, Gerber RB. Conformational transitions of glycine induced by vibrational excitation of the O-H stretch. Physical Chemistry Chemical Physics : Pccp. 13: 8715-22. PMID 20922237 DOI: 10.1039/c0cp01385d |
1 |
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| 2011 |
Liessmann M, Miller Y, Gerber RB, Abel B. Reaction of OH and NO at low temperatures in the presence of water: The role of clusters Zeitschrift Fur Physikalische Chemie. 225: 1129-1144. DOI: 10.1524/zpch.2011.0181 |
1 |
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| 2011 |
Jin L, Simons JP, Gerber RB. Structures of the xylose-water complex: Energetics, transitions between conformers and spectroscopy Chemical Physics Letters. 518: 49-54. DOI: 10.1016/j.cplett.2011.11.008 |
1 |
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| 2011 |
Xie HB, Pincu M, Brauer B, Gerber RB, Bar I. Raman and infrared spectra of cellobiose in the solid state: What can be learned from single-molecule calculations? Chemical Physics Letters. 514: 284-290. DOI: 10.1016/j.cplett.2011.08.082 |
1 |
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| 2011 |
Finlayson-Pitts BJ, Perraud V, Ezell MJ, Dawson ML, Varner ME, Gerber RB. Formation and growth of particles in air: New insights from laboratory studies Acs National Meeting Book of Abstracts. |
1 |
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| 2010 |
Tsivion E, Gerber RB. Predicted compounds of radon with acetylene and water. Physical Chemistry Chemical Physics : Pccp. 12: 11791-4. PMID 20717597 DOI: 10.1039/c0cp00875c |
1 |
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| 2010 |
Pincu M, Brauer B, Gerber RB, Buch V. Sugar-salt and sugar-salt-water complexes: structure and dynamics of glucose-KNO3-(H2O)n. Physical Chemistry Chemical Physics : Pccp. 12: 3550-8. PMID 20355292 DOI: 10.1039/b925797g |
1 |
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| 2010 |
Njegic B, Raff JD, Finlayson-Pitts BJ, Gordon MS, Gerber RB. Catalytic role for water in the atmospheric production of ClNO. The Journal of Physical Chemistry. A. 114: 4609-18. PMID 20232807 DOI: 10.1021/jp912155a |
1 |
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| 2010 |
Harmon CW, Grimm RL, McIntire TM, Peterson MD, Njegic B, Angel VM, Alshawa A, Underwood JS, Tobias DJ, Gerber RB, Gordon MS, Hemminger JC, Nizkorodov SA. Hygroscopic growth and deliquescence of NaCl nanoparticles mixed with surfactant SDS. The Journal of Physical Chemistry. B. 114: 2435-49. PMID 20108956 DOI: 10.1021/jp909661q |
1 |
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| 2010 |
Kamboures MA, Nizkorodov SA, Gerber RB. Ultrafast photochemistry of methyl hydroperoxide on ice particles. Proceedings of the National Academy of Sciences of the United States of America. 107: 6600-4. PMID 19846778 DOI: 10.1073/pnas.0907922106 |
1 |
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| 2010 |
Pele L, Gerber RB. On the mean accuracy of the separable vscf approximation for large molecules Journal of Physical Chemistry C. 114: 20603-20608. DOI: 10.1021/jp105066a |
1 |
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| 2010 |
Suwan I, Gerber RB. VSCF in internal coordinates and the calculation of anharmonic torsional mode transitions Chemical Physics. 373: 267-273. DOI: 10.1016/j.chemphys.2010.05.025 |
1 |
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| 2009 |
Feldman VI, Kobzarenko AV, Baranova IA, Danchenko AV, Sukhov FF, Tsivion E, Gerber RB. Direct visualization of the H-Xe bond in xenon hydrides: xenon isotopic shift in the IR spectra. The Journal of Chemical Physics. 131: 151101. PMID 20568838 DOI: 10.1063/1.3250426 |
1 |
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| 2009 |
Miller Y, Thomas JL, Kemp DD, Finlayson-Pitts BJ, Gordon MS, Tobias DJ, Gerber RB. 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. 113: 12805-14. PMID 19817362 DOI: 10.1021/jp9070339 |
1 |
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| 2009 |
Raff JD, Njegic B, Chang WL, Gordon MS, Dabdub D, Gerber RB, Finlayson-Pitts BJ. 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. 106: 13647-54. PMID 19620710 DOI: 10.1073/pnas.0904195106 |
1 |
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| 2009 |
Gerber RB. Autobiography of Robert Benny Gerber. The Journal of Physical Chemistry. A. 113: 7163-70. PMID 19552470 DOI: 10.1021/jp902506j |
0.01 |
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| 2009 |
Miller Y, Finlayson-Pitts BJ, Gerber RB. Ionization of N2O4 in contact with water: mechanism, time scales and atmospheric implications. Journal of the American Chemical Society. 131: 12180-5. PMID 19388651 DOI: 10.1021/ja900350g |
1 |
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| 2009 |
Link O, Vöhringer-Martinez E, Lugovoj E, Liu Y, Siefermann K, Faubel M, Grubmüller H, Gerber RB, Miller Y, Abel B. Ultrafast phase transitions in metastable water near liquid interfaces. Faraday Discussions. 141: 67-79; discussion 81. PMID 19227352 |
1 |
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| 2009 |
Adesokan AA, Gerber RB. Anharmonic vibrational spectroscopy calculations for proton-bound amino acid dimers. The Journal of Physical Chemistry. A. 113: 1905-12. PMID 19061325 DOI: 10.1021/jp807106h |
1 |
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| 2009 |
Khriachtchev L, Räsänen M, Gerber RB. Noble-gas hydrides: new chemistry at low temperatures. Accounts of Chemical Research. 42: 183-91. PMID 18720951 DOI: 10.1021/ar800110q |
1 |
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| 2009 |
Sukharev M, Cohen A, Gerber RB, Seideman T. Ultrafast nonadiabatic photodissociation dynamics of F2 in solid Ar Laser Physics. 19: 1651-1659. DOI: 10.1134/S1054660X09150389 |
1 |
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| 2009 |
Gerber RB, Sebek J. Dynamics simulations of atmospherically relevant molecular reactions International Reviews in Physical Chemistry. 28: 207-222. DOI: 10.1080/01442350903016684 |
1 |
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| 2009 |
Raff JD, Njegic B, Chang WL, Gordon MS, Dabdub D, Gerber RB, Finlayson-Pitts BJ. 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, (13647-13654) DOI:10.1073/pnas.0904195106)) Proceedings of the National Academy of Sciences of the United States of America. 106: 16889. DOI: 10.1073/pnas.0909721106 |
1 |
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| 2009 |
Tsivion E, Gerber RB. Lifetimes of compounds made of noble-gas atoms with water Chemical Physics Letters. 482: 30-33. DOI: 10.1016/j.cplett.2009.09.065 |
1 |
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| 2008 |
Kamboures MA, Raff JD, Miller Y, Phillips LF, Finlayson-Pitts BJ, Gerber RB. Complexes of HNO3 and NO3 - with NO2 and N2O4, and their potential role in atmospheric HONO formation. Physical Chemistry Chemical Physics : Pccp. 10: 6019-32. PMID 18825290 DOI: 10.1039/b805330h |
1 |
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| 2008 |
Steinberg MZ, Elber R, McLafferty FW, Gerber RB, Breuker K. Early structural evolution of native cytochrome c after solvent removal. Chembiochem : a European Journal of Chemical Biology. 9: 2417-23. PMID 18785672 DOI: 10.1002/cbic.200800167 |
1 |
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| 2008 |
Kamboures MA, van der Veer W, Gerber RB, Phillips LF. Raman spectra of complexes of HNO3 and NO3- with NO2 at surfaces and with N2O4 in solution. Physical Chemistry Chemical Physics : Pccp. 10: 4748-53. PMID 18688517 DOI: 10.1039/b810081k |
0.16 |
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| 2008 |
Segev E, Wyttenbach T, Bowers MT, Gerber RB. Conformational evolution of ubiquitin ions in electrospray mass spectrometry: molecular dynamics simulations at gradually increasing temperatures. Physical Chemistry Chemical Physics : Pccp. 10: 3077-82. PMID 18688371 DOI: 10.1039/b718610j |
1 |
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| 2008 |
Wolf I, Shapira A, Giniger R, Miller Y, Gerber RB, Cheshnovsky O. Critical size for intracluster proton transfer from water to an anion. Angewandte Chemie (International Ed. in English). 47: 6272-4. PMID 18618557 DOI: 10.1002/anie.200800542 |
1 |
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| 2008 |
Brauer B, Dubnikova F, Zeiri Y, Kosloff R, Gerber RB. Vibrational spectroscopy of triacetone triperoxide (TATP): anharmonic fundamentals, overtones and combination bands. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 71: 1438-45. PMID 18554978 DOI: 10.1016/j.saa.2008.04.022 |
1 |
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| 2008 |
Pele L, Gerber RB. 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: 165105. PMID 18447509 DOI: 10.1063/1.2909558 |
1 |
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| 2008 |
Kjaergaard HG, Garden AL, Chaban GM, Gerber RB, Matthews DA, Stanton JF. Calculation of vibrational transition frequencies and intensities in water dimer: comparison of different vibrational approaches. The Journal of Physical Chemistry. A. 112: 4324-35. PMID 18407701 DOI: 10.1021/jp710066f |
1 |
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| 2008 |
Khriachtchev L, Isokoski K, Cohen A, Räsänen M, Gerber RB. A small neutral molecule with two noble-gas atoms: HXeOXeH. Journal of the American Chemical Society. 130: 6114-8. PMID 18407641 DOI: 10.1021/ja077835v |
1 |
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| 2008 |
von Helden G, Compagnon I, Blom MN, Frankowski M, Erlekam U, Oomens J, Brauer B, Gerber RB, Meijer G. Mid-IR spectra of different conformers of phenylalanine in the gas phase. Physical Chemistry Chemical Physics : Pccp. 10: 1248-56. PMID 18292858 DOI: 10.1039/b713274c |
1 |
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| 2008 |
Miller Y, Gerber RB. Dynamics of proton recombination with NO3- anion in water clusters. Physical Chemistry Chemical Physics : Pccp. 10: 1091-3. PMID 18270608 DOI: 10.1039/b717338p |
1 |
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| 2008 |
Cohen A, Gerber RB. Dynamical u ↔ g electronic state transitions in matrix photochemistry: Photodissociation of F2 in solid Ar Chemical Physics Letters. 453: 173-177. DOI: 10.1016/j.cplett.2008.01.020 |
1 |
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| 2008 |
Shemesh D, Mullin J, Gordon MS, Gerber RB. Vibrational spectroscopy for glycine adsorbed on silicon clusters: Harmonic and anharmonic calculations for models of the Si(1 0 0)-2 × 1 surface Chemical Physics. 347: 218-228. DOI: 10.1016/j.chemphys.2007.09.062 |
1 |
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| 2008 |
Chaban GM, Gerber RB. Anharmonic vibrational spectroscopy calculations with electronic structure potentials: Comparison of MP2 and DFT for organic molecules Theoretical Chemistry Accounts. 120: 273-279. DOI: 10.1007/s00214-007-0299-1 |
1 |
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| 2007 |
Miller Y, Chaban GM, Zhou J, Asmis KR, Neumark DM, Gerber RB. Vibrational spectroscopy of (SO4(2-)).(H2O)n clusters, n=1-5: harmonic and anharmonic calculations and experiment. The Journal of Chemical Physics. 127: 094305. PMID 17824737 DOI: 10.1063/1.2764074 |
1 |
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| 2007 |
Steinberg MZ, Breuker K, Elber R, Gerber RB. The dynamics of water evaporation from partially solvated cytochrome c in the gas phase. Physical Chemistry Chemical Physics : Pccp. 9: 4690-7. PMID 17700870 DOI: 10.1039/b705905a |
1 |
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| 2007 |
Bargheer M, Cohen A, Gerber RB, Gühr M, Korolkov MV, Manz J, Niv MY, Schröder M, Schwentner N. Dynamics of electronic states and spin-flip for photodissociation of dihalogens in matrices: experiment and semiclassical surface-hopping and quantum model simulations for F2 and ClF in solid Ar. The Journal of Physical Chemistry. A. 111: 9573-85. PMID 17629252 DOI: 10.1021/jp071771t |
1 |
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| 2007 |
Adesokan AA, Chaban GM, Dopfer O, Gerber RB. Vibrational spectroscopy of protonated imidazole and its complexes with water molecules: ab initio anharmonic calculations and experiments. The Journal of Physical Chemistry. A. 111: 7374-81. PMID 17500546 DOI: 10.1021/jp070785w |
1 |
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| 2007 |
Adesokan AA, Pan D, Fredj E, Mathies RA, Gerber RB. Anharmonic vibrational calculations modeling the raman spectra of intermediates in the photoactive yellow protein (PYP) photocycle. Journal of the American Chemical Society. 129: 4584-94. PMID 17378558 DOI: 10.1021/ja066903v |
1 |
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| 2007 |
Sheng L, Gerber RB. Predicted stability and structure of (HXeCCH)n (n=2 or 4) clusters and of crystalline HXeCCH. The Journal of Chemical Physics. 126: 021108. PMID 17228936 DOI: 10.1063/1.2429059 |
1 |
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| 2007 |
Miller Y, Gerber RB, Vaida V. Photodissociation yields for vibrationally excited states of sulfuric acid under atmospheric conditions Geophysical Research Letters. 34. DOI: 10.1029/2007GL030529 |
1 |
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| 2007 |
Cohen A, Gerber RB. A 1 fs spin-flip in a chemical reaction: Photodissociation of HF in solid Ar Chemical Physics Letters. 441: 48-52. DOI: 10.1016/j.cplett.2007.05.012 |
1 |
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| 2007 |
Gerber RB, González L, Kühn O. Molecular wave packet dynamics (in honour of Jörn Manz) Chemical Physics. 338: 79-80. DOI: 10.1016/j.chemphys.2007.06.001 |
1 |
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| 2007 |
Cohen A, Gerber RB. Photodissociation of F2 in solid Ar: Electronic state distribution in cage-exit Chemical Physics. 338: 200-206. DOI: 10.1016/j.chemphys.2007.05.006 |
1 |
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| 2007 |
Schweke D, Brauer B, Gerber RB, Haas Y. The vibrational spectra of N-phenylpyrrole in the gas phase, in argon matrices and in single crystals Chemical Physics. 333: 168-178. DOI: 10.1016/j.chemphys.2007.01.017 |
1 |
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| 2007 |
Pele L, Brauer B, Gerber RB. Acceleration of correlation-corrected vibrational self-consistent field calculation times for large polyatomic molecules Theoretical Chemistry Accounts. 117: 69-72. DOI: 10.1007/s00214-006-0132-2 |
1 |
|
| 2007 |
Bargheer M, Borowski A, Cohen A, Fushitani M, Gerber RB, Gühr M, Hamm P, Ibrahim H, Kiljunen T, Korolkov MV, Kühn O, Manz J, Schmidt B, Schröder M, Schwentner N. Coherence and control of molecular dynamics in rare gas matrices Springer Series in Chemical Physics. 87: 257-385. DOI: 10.1007/978-3-540-68038-3-4 |
1 |
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| 2007 |
Bonacic-Koutecky V, Brauer B, Burmeister F, Eberhardt W, Gerber RB, González L, Von Helden G, Kammrath A, Kim SK, Manz J, Meijer G, Mitri? R, Neeb M, Neumark DM, Schultz T, et al. Complex systems in the gas phase Springer Series in Chemical Physics. 87: 153-256. DOI: 10.1007/978-3-540-68038-3-3 |
1 |
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| 2006 |
Sheng L, Gerber RB. Stability and structure of oligomers and polymers made of xenon and hydrocarbons: theoretical predictions. The Journal of Chemical Physics. 125: 201101. PMID 17144680 DOI: 10.1063/1.2397674 |
1 |
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| 2006 |
Segev E, Grumbach M, Gerber RB. Evolution of conformational changes in the dynamics of small biological molecules: a hybrid MD/RRK approach. Physical Chemistry Chemical Physics : Pccp. 8: 4915-23. PMID 17066182 DOI: 10.1039/b610872e |
1 |
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| 2006 |
Ansbacher T, Gerber RB. New organic noble gas molecules: energetics, stability and potential energy surfaces of HCCXeCCH and HCCKrCCH. Physical Chemistry Chemical Physics : Pccp. 8: 4175-81. PMID 16971985 DOI: 10.1039/b606478g |
0.24 |
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| 2006 |
Miller Y, Gerber RB. Dynamics of vibrational overtone excitations of H2SO4, H2SO4-H2O: hydrogen-hopping and photodissociation processes. Journal of the American Chemical Society. 128: 9594-5. PMID 16866489 DOI: 10.1021/ja062890+ |
1 |
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| 2006 |
Sheng L, Gerber RB. 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. 124: 231103. PMID 16821900 DOI: 10.1063/1.2217734 |
1 |
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| 2006 |
Shemesh D, Gerber RB. Classical trajectory simulations of photoionization dynamics of tryptophan: intramolecular energy flow, hydrogen-transfer processes and conformational transitions. The Journal of Physical Chemistry. A. 110: 8401-8. PMID 16821822 DOI: 10.1021/jp0570869 |
1 |
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| 2006 |
Sheng L, Cohen A, Gerber RB. Theoretical prediction of chemically bound compounds made of argon and hydrocarbons. Journal of the American Chemical Society. 128: 7156-7. PMID 16734457 DOI: 10.1021/ja0613355 |
1 |
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| 2006 |
Ramazan KA, Wingen LM, Miller Y, Chaban GM, Gerber RB, Xantheas SS, Finlayson-Pitts BJ. 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. 110: 6886-97. PMID 16722704 DOI: 10.1021/jp056426n |
1 |
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| 2006 |
Miller Y, Chaban GM, Finlayson-Pitts BJ, Gerber RB. Photochemical processes induced by vibrational overtone excitations: dynamics simulations for cis-HONO, trans-HONO, HNO3, and HNO3-H2O. The Journal of Physical Chemistry. A. 110: 5342-54. PMID 16623461 DOI: 10.1021/jp0559940 |
1 |
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| 2005 |
Brindle CA, Chaban GM, Gerber RB, Janda KC. Anharmonic vibrational spectroscopy calculations for (NH3)(HF) and (NH3)(DF): fundamental, overtone, and combination transitions. Physical Chemistry Chemical Physics : Pccp. 7: 945-54. PMID 19791384 |
1 |
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| 2005 |
Brauer B, Gerber RB, Kabelác M, Hobza P, Bakker JM, Abo Riziq AG, de Vries MS. 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. 109: 6974-84. PMID 16834057 DOI: 10.1021/jp051767m |
1 |
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| 2005 |
Miller Y, Chaban GM, Gerber RB. Ab initio vibrational calculations for H2SO4 and H2SO4 x H2O: spectroscopy and the nature of the anharmonic couplings. The Journal of Physical Chemistry. A. 109: 6565-74. PMID 16834003 DOI: 10.1021/jp058110l |
1 |
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| 2005 |
Shemesh D, Gerber RB. Different chemical dynamics for different conformers of biological molecules: photoionization of glycine. The Journal of Chemical Physics. 122: 241104. PMID 16035739 DOI: 10.1063/1.1937407 |
1 |
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| 2005 |
Shemesh D, Baer R, Seideman T, Gerber RB. Photoionization dynamics of glycine adsorbed on a silicon cluster: "on-the-fly" simulations. The Journal of Chemical Physics. 122: 184704. PMID 15918744 DOI: 10.1063/1.1894052 |
1 |
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| 2005 |
Brown EC, Cohen A, Gerber RB. Prediction of a linear polymer made of xenon and carbon. The Journal of Chemical Physics. 122: 171101. PMID 15910015 DOI: 10.1063/1.1903943 |
1 |
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| 2004 |
Nahler NH, Farnik M, Buck U, Vach H, Gerber RB. Photodissociation of HCl and small (HCl)m complexes in and on large Ar n clusters. The Journal of Chemical Physics. 121: 1293-302. PMID 15260671 DOI: 10.1063/1.1763570 |
0.36 |
|
| 2004 |
Gerber RB. Formation of novel rare-gas molecules in low-temperature matrices. Annual Review of Physical Chemistry. 55: 55-78. PMID 15117247 DOI: 10.1146/annurev.physchem.55.091602.094420 |
0.01 |
|
| 2003 |
Khriachtchev L, Tanskanen H, Cohen A, Gerber RB, Lundell J, Pettersson M, Kiljunen H, Räsänen M. A gate to organokrypton chemistry: HKrCCH. Journal of the American Chemical Society. 125: 6876-7. PMID 12783534 DOI: 10.1021/ja0355269 |
1 |
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| 2003 |
Gerber RB, Chaban GM, Gregurick SK, Brauer B. Vibrational spectroscopy and the development of new force fields for biological molecules. Biopolymers. 68: 370-82. PMID 12601796 DOI: 10.1002/bip.10293 |
1 |
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| 2002 |
Bargheer M, Niv MY, Gerber RB, Schwentner N. Ultrafast solvent-induced spin-flip and nonadiabatic coupling: ClF in argon solids. Physical Review Letters. 89: 108301. PMID 12225231 |
1 |
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| 2002 |
Chaban GM, Gerber RB. 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. 58: 887-98. PMID 11991501 |
1 |
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| 2002 |
Bargheer M, Gerber RB, Korolkov MV, Kühn O, Manz J, Schröder M, Schwentner N. Subpicosecond spin-flip induced by the photodissociation dynamics of ClF in an Ar matrix Physical Chemistry Chemical Physics. 4: 5554-5562. DOI: 10.1039/b206382d |
1 |
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| 2002 |
Yang H, Wright NJ, Gagnon AM, Gerber RB, Finlayson-Pitts BJ. An upper limit to the concentration of an SO2 complex at the air-water interface at 298 K: Infrared experiments and ab initio calculations Physical Chemistry Chemical Physics. 4: 1832-1838. DOI: 10.1039/b108907b |
1 |
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| 2001 |
Cohen A, Niv MY, Gerber RB. Formation of novel rare-gas-containing molecules by molecular photodissociation in clusters. Faraday Discussions. 269-80; discussion 2. PMID 11605271 |
1 |
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| 2001 |
Bihary Z, Karavitis M, Gerber RB, Apkarian VA. Spectral inhomogeneity induced by vacancies and thermal phonons and associated observables in time- and frequency-domain nonlinear spectroscopy: I2 isolated in matrix argon Journal of Chemical Physics. 115: 8006-8013. DOI: 10.1063/1.1408917 |
1 |
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| 2001 |
Bihary Z, Gerber RB, Apkarian VA. Vibrational self-consistent field approach to anharmonic spectroscopy of molecules in solids: Application to iodine in argon matrix Journal of Chemical Physics. 115: 2695-2701. DOI: 10.1063/1.1384870 |
1 |
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| 2001 |
Chaban GM, Gerber RB, Janda KC. Transition from hydrogen bonding to ionization in (HCl)n(NH3)n and (HCl)n(H2O)n clusters: Consequences for anharmonic vibrational spectroscopy Journal of Physical Chemistry A. 105: 8323-8332. DOI: 10.1021/jp011567k |
1 |
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| 2000 |
Knipping EM, Lakin MJ, Foster KL, Jungwirth P, Tobias DJ, Gerber RB, Dabdub D, Finlayson-Pitts BJ. Experiments and simulations of ion-enhanced interfacial chemistry on aqueous NaCl aerosols Science (New York, N.Y.). 288: 301-6. PMID 10764637 DOI: 10.1126/science.288.5464.301 |
1 |
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| 2000 |
Chase D, Manning M, Morgan JA, Nathanson GM, Gerber RB. Argon scattering from liquid indium: Simulations with embedded atom potentials and experiment Journal of Chemical Physics. 113: 9279-9287. DOI: 10.1063/1.1287715 |
1 |
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| 2000 |
Altshuler ES, Mills DL, Gerber RB. Simulations of hydrogen diffusion on BCC metal (110) surfaces; coverage and temperature dependence Surface Science. 452: 95-107. DOI: 10.1016/S0039-6028(99)01253-4 |
1 |
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| 1999 |
Jungwirth P, Gerber RB. Quantum Molecular Dynamics of Ultrafast Processes in Large Polyatomic Systems. Chemical Reviews. 99: 1583-1606. PMID 11849003 |
1 |
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| 1999 |
Niv MY, Krylov AI, Gerber RB, Buck U. Photodissociation of HCI adsorbed on the surface of an Ar12 cluster: Nonadiabatic molecular dynamics simulations Journal of Chemical Physics. 110: 11047-11053. |
1 |
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| 1998 |
Rom AY, Neuhauser D, Gerber RB. Quantum mechanical calculation of inelastic scattering of an atom by a large anharmonic cluster: Application to He+Ar13 Journal of Chemical Physics. 108: 6084-6092. |
1 |
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| 1997 |
Gregurick SK, Fredj E, Elber R, Gerber RB. Vibrational spectroscopy of peptides and peptide-water complexes: Anharmonic coupled-mode calculations Journal of Physical Chemistry B. 101: 8595-8606. DOI: 10.1021/jp971587f |
1 |
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| 1997 |
Krylov AI, Gerber RB. Photodissociation dynamics of HCI in solid Ar: Cage exit, nonadiabatic transitions, and recombination Journal of Chemical Physics. 106: 6574-6587. |
1 |
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| 1997 |
Niv MY, Krylov AI, Gerber RB. Photodissociation, electronic relaxation and recombination of HCl in Arn(HCl) clusters: Non-adiabatic molecular dynamics simulations Faraday Discussions. 108: 243-254. |
1 |
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| 1996 |
Krylov AI, Gerber RB, Coalson RD. Nonadiabatic dynamics and electronic energy relaxation of Cl(2P) atoms in solid Ar Journal of Chemical Physics. 105: 4626-4635. |
1 |
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| 1996 |
Krylov AI, Gerber RB, Gaveau MA, Mestdagh JM, Schilling B, Visticot JP. Spectroscopy, polarization and nonadiabatic dynamics of electronically excited Ba(Ar)n clusters: Theory and experiment Journal of Chemical Physics. 104: 3651-3663. |
1 |
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| 1996 |
Hintenender M, Rebentrost F, Kosloff R, Gerber RB. Mixed quantum/classical simulation of the photolysis of HCl on MgO(001) Journal of Chemical Physics. 105: 11347-11356. |
1 |
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| 1995 |
Roitberg A, Gerber RB, Elber R, Ratner MA. Anharmonic wave functions of proteins: quantum self-consistent field calculations of BPTI. Science (New York, N.Y.). 268: 1319-22. PMID 7539156 DOI: 10.1126/science.7539156 |
1 |
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| 1994 |
Schmidt B, Gerber RB. Reactive collisions as a signature for meltinglike transitions in clusters. Physical Review Letters. 72: 2490-2493. PMID 10055893 |
0.04 |
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| 1994 |
Krylov AI, Gerber RB, Apkarian VA. Adiabatic approximation and non-adiabatic effects for open-shell atoms in an inert solvent: F atoms in solid Kr Chemical Physics. 189: 261-272. DOI: 10.1016/0301-0104(94)00322-X |
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| 1994 |
Krylov AI, Gerber RB. Reorientation dynamics of electronic orbitals in condensed phases. Simulations of F(2P) atoms in solid Kr Chemical Physics Letters. 231: 395-400. DOI: 10.1016/0009-2614(94)01293-8 |
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| 1994 |
Lipkin N, Gerber RB, Moiseyev N, Nathanson GM. Atom scattering studies of liquid structure and dynamics: Collisions of Xe with a model of squalane The Journal of Chemical Physics. 100: 8408-8417. |
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| 1994 |
Krylov AI, Gerber RB. Photodissociation of ICN in solid and in liquid Ar: Dynamics of the cage effect and of excited-state isomerization The Journal of Chemical Physics. 100: 4242-4252. |
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| 1993 |
García-Vela A, Gerber RB, Imre DG, Valentini JJ. Resonances in the photolysis of HCl in Ar-CHl: Imaging of a resonance wave function in the photofragment angular distribution. Physical Review Letters. 71: 931-934. PMID 10055404 DOI: 10.1103/PhysRevLett.71.931 |
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| 1993 |
García-Vela A, Gerber RB, Imre DG, Valentini JJ. Quantum resonances and interference effects in the UV photodissociation of ArHCl Chemical Physics Letters. 202: 473-478. DOI: 10.1016/0009-2614(93)90033-W |
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| 1993 |
Segall J, Wen Y, Singer R, Wittig C, García-Vela A, Gerber RB. Evidence for a cage effect in the UV photolysis of HBr in ArHBr. Theoretical and experimental results Chemical Physics Letters. 207: 504-509. DOI: 10.1016/0009-2614(93)89037-I |
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| 1992 |
Alimi R, Gerber RB, McCaffrey JG, Kunz H, Schwentner N. Delayed and direct cage exit in photodissociation of Cl2 in solid Ar. Physical Review Letters. 69: 856-859. PMID 10047050 |
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| 1992 |
McCarthy MI, Gerber RB, Trentelman KA, Strupp P, Fairbrother DH, Stair PC, Weitz E. Photodissociation dynamics of CH3I adsorbed on MgO(100): Theory and experiment The Journal of Chemical Physics. 97: 5168-5176. |
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| 1992 |
Garcia-Vela A, Gerber RB, Imre DG. Mixed quantum wave packet/classical trajectory treatment of the photodissociation process ArHCl→Ar+H+Cl The Journal of Chemical Physics. 97: 7242-7250. |
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| 1991 |
Alimi R, Gerber RB, Apkarian VA. Photodissociation dynamics of F2 in solid Kr: Theory versus experiment. Physical Review Letters. 66: 1295-1297. PMID 10043169 |
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| 1991 |
Garcia-Vela A, Gerber RB, Valentini JJ. Dynamics of molecular photodissociation in clusters: a study of Ar...HCl Chemical Physics Letters. 186: 223-228. DOI: 10.1016/S0009-2614(91)85133-H |
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| 1990 |
Alimi R, Gerber RB. Solvation effects on chemical reaction dynamics in clusters: Photodissociation of HI in XeNHI. Physical Review Letters. 64: 1453-1456. PMID 10041399 |
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| 1989 |
Gerber RB, Alimi R, Apkarian VA. Ion migration following charge transfer reactions in rare-gas solids: The role of hole hopping Chemical Physics Letters. 158: 257-262. DOI: 10.1016/0009-2614(89)87331-2 |
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| 1989 |
Petrella G, Yinnon AT, Gerber RB. Atom scattering from isolated molecular adsorbates on surfaces: Effects of adsorbate orientation Chemical Physics Letters. 158: 250-256. DOI: 10.1016/0009-2614(89)87330-0 |
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| 1988 |
Gerber RB, Petrella G. ΔmJ Transitions in molecular scattering from isolated adsorbates on surfaces Chemical Physics Letters. 147: 126-132. DOI: 10.1016/0009-2614(88)80236-7 |
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| 1985 |
Moiseyev N, Maniv T, Elber R, Gerber RB. Lifetimes of rotational resonances in molecule-surface scattering quantum versus classical results Molecular Physics. 55: 1369-1381. DOI: 10.1080/00268978500102071 |
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| 1985 |
Elber R, Gerber RB, Kouri DJ. Multiple collision model for high energy molecular dissociation on surfaces: Effects of corrugation and of phonon participation Chemical Physics. 97: 345-356. DOI: 10.1016/0301-0104(85)87043-9 |
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| 1985 |
Elber R, Gerber RB. Multiple-collision model for molecular dissociation in impact on solid surfaces Chemical Physics. 92: 363-379. DOI: 10.1016/0301-0104(85)85031-X |
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| 1985 |
Elber R, Gerber RB. Excitation of molecular rotation and of solid vibrations in high-energy collisions of I2 with MgO(100) Chemical Physics Letters. 119: 269-274. DOI: 10.1016/0009-2614(85)80415-2 |
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| 1985 |
Kolodney E, Amirav A, Elber R, Gerber RB. Large energy transfer in hyperthermal heavy-atom-surface scattering: A study of Hg/MgO(100) Chemical Physics Letters. 113: 303-306. DOI: 10.1016/0009-2614(85)80265-7 |
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| 1984 |
Roth RM, Ratner MA, Gerber RB. Inversion of polyatomic rovibration spectra into a molecular potential energy surface: Application to CO2 Physical Review Letters. 52: 1288-1291. DOI: 10.1103/PhysRevLett.52.1288 |
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| 1984 |
Kolodney E, Amirav A, Elber R, Gerber RB. Dissociaton and energy transfer in molecular impact on surfaces: Experimental and theoretical studies of I2/Mg(100) and I2/sapphire Surface Science. 148: 153-154. DOI: 10.1016/0039-6028(84)90040-2 |
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| 1984 |
Gerber RB, Elber R. Centrifugal mechanism for molecular dissociation in high-energy collisions with solid surfaces Chemical Physics Letters. 107: 141-144. DOI: 10.1016/0009-2614(84)85688-2 |
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| 1984 |
Kolodney E, Amirav A, Elber R, Gerber RB. Energy transfer and dissociation in collisions of I2 with MgO(100) Chemical Physics Letters. 111: 366-371. DOI: 10.1016/0009-2614(84)85522-0 |
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| 1983 |
Gerber RB, Elber R. Vibrational and rotational excitation in high-energy molecule-surface collisions: Dominance of the rotational mode Chemical Physics Letters. 102: 466-470. DOI: 10.1016/0009-2614(83)87448-X |
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| 1983 |
Elber R, Gerber RB. Dissociation dynamics in high-energy molecule-surface collisions: The dissociation rainbow effect Chemical Physics Letters. 97: 4-8. DOI: 10.1016/0009-2614(83)87172-3 |
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| 1981 |
Gerber RB, Roth RM, Ratner MA. Approximate inversion method for obtaining polyatomic potential energy surfaces from ro-vibrational spectra Molecular Physics. 44: 1335-1353. DOI: 10.1080/00268978100103221 |
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| 1981 |
Fitz DE, Bawagan AO, Beard LH, Kouri DJ, Gerber RB. Rotational-translattonal energy exchange in molecule-surface collisions1 1 Supported under R.A. Welch Foundation Grant E-608 Chemical Physics Letters. 80: 537-540. DOI: 10.1016/0009-2614(81)85073-7 |
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| 1979 |
Child MS, Gerber RB. Inversion of inelastic atom-atom scattering data: Recovery of the interaction function Molecular Physics. 38: 421-432. DOI: 10.1080/00268977900101781 |
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| 1979 |
Berkowitz M, Gerber RB. Theory of vibrational relaxation in solids: The competition between local phonon and roton receiving modes Chemical Physics. 37: 369-388. DOI: 10.1016/0301-0104(79)85037-5 |
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| 1978 |
Gerber RB, Berkowitz M, Yakhot V. Librational relaxation of molecular impurities in host crystals Molecular Physics. 36: 355-363. DOI: 10.1080/00268977800101621 |
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| 1978 |
Murrell JN, Yinnon AT, Gerber RB. Applications of symmetry in coupled channel atom-surface scattering calculations Chemical Physics. 33: 131-135. DOI: 10.1016/0301-0104(78)87078-5 |
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| 1978 |
Yinnon AT, Bosanac S, Gerber RB, Murrell JN. Coupled-channel calculations and the accuracy of the sudden approximation for atom-surface scattering Chemical Physics Letters. 58: 364-367. DOI: 10.1016/0009-2614(78)85054-4 |
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| 1978 |
Gerber RB, Berkowitz M. Rotational mode participation in long-distance vibrational energy transfer in solids Chemical Physics Letters. 56: 105-108. DOI: 10.1016/0009-2614(78)80197-3 |
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| 1977 |
Gerber RB, Berkowitz M. Role of rotational and translational local modes in vibrational relaxation in solids: A study of NH and ND in solid Ar Physical Review Letters. 39: 1000-1004. DOI: 10.1103/PhysRevLett.39.1000 |
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| 1977 |
Berkowitz M, Gerber RB. Vibrational relaxation of molecules in solids: The role of rotational and of translational local modes Chemical Physics Letters. 49: 260-264. DOI: 10.1016/0009-2614(77)80582-4 |
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| 1975 |
Yakhot V, Berkowitz M, Gerber RB. Theory of excimer vibrational relaxation and U.V. emission in solid neon Chemical Physics. 10: 61-66. DOI: 10.1016/0301-0104(75)85007-5 |
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| 1975 |
Yakhot V, Gerber RB. Excimer emission spectrum in noble gas systems Chemical Physics. 8: 366-370. DOI: 10.1016/0301-0104(75)80146-7 |
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| 1972 |
Gerber RB, Karplus M. On the Determination of the Phases of Electromagnetic Scattering Amplitudes from Experimental Data The Journal of Chemical Physics. 56: 1921-1936. DOI: 10.1063/1.1677477 |
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| 1970 |
Gerber RB, Karplus M. Determination of the Phase of the Scattering Amplitude from the Differential Cross Section Physical Review D. 1: 998-1012. DOI: 10.1103/PhysRevD.1.998 |
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| 1969 |
Gerber RB, Karplus M. Upper Bounds on Many‐Channel Scattering Phase Shifts by an Adiabatic‐Type Approximation The Journal of Chemical Physics. 51: 2726-2734. DOI: 10.1063/1.1672397 |
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