| Year |
Citation |
Score |
| 2022 |
Zhao M, Lachowski KJ, Zhang S, Alamdari S, Sampath J, Mu P, Mundy CJ, Pfaendtner J, De Yoreo JJ, Chen CL, Pozzo LD, Ferguson AL. Hierarchical Self-Assembly Pathways of Peptoid Helices and Sheets. Biomacromolecules. PMID 35020390 DOI: 10.1021/acs.biomac.1c01385 |
0.748 |
|
| 2020 |
Alamdari S, Roeters SJ, Golbek TW, Schmüser L, Weidner T, Pfaendtner J. Orientation and Conformation of Proteins at the Air-Water Interface Determined from Integrative Molecular Dynamics Simulations and Sum Frequency Generation Spectroscopy. Langmuir : the Acs Journal of Surfaces and Colloids. 36: 11855-11865. PMID 32921055 DOI: 10.1021/Acs.Langmuir.0C01881 |
0.354 |
|
| 2020 |
Zhao M, Sampath J, Alamdari S, Shen G, Chen CL, Mundy CJ, Pfaendtner J, Ferguson AL. A MARTINI-Compatible Coarse-Grained Model for the Mesoscale Simulation of Peptoids. The Journal of Physical Chemistry. B. PMID 32790381 DOI: 10.1021/Acs.Jpcb.0C04567 |
0.76 |
|
| 2020 |
Xue M, Sampath J, Gebhart R, Haugen HJ, Lyngstadaas SP, Pfaendtner J, Drobny GP. Studies of dynamic binding of amino acids to TiO2 nanoparticle surfaces by Solution NMR and Molecular Dynamics Simulations. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 32693593 DOI: 10.1021/Acs.Langmuir.0C01256 |
0.761 |
|
| 2020 |
Buckle EL, Sampath J, Michael N, Whedon SD, Leonen CJA, Pfaendtner J, Drobny GP, Chatterjee C. Trimethylation of the R5 silica-precipitating peptide increases silica particle size by redirecting orthosilicate binding. Chembiochem : a European Journal of Chemical Biology. PMID 32596917 DOI: 10.1002/Cbic.202000264 |
0.752 |
|
| 2020 |
Smith JK, Pfaendtner J. Elucidating the Molecular Interactions Between Uremic Toxins and the Sudlow II Binding Site of Human Serum Albumin. The Journal of Physical Chemistry. B. PMID 32338898 DOI: 10.1021/Acs.Jpcb.0C02015 |
0.331 |
|
| 2020 |
Hellner B, Alamdari S, Pyles H, Zhang S, Prakash A, Sprenger KG, De Yoreo JJ, Baker D, Pfaendtner J, Baneyx F. Sequence-structure-binding relationships reveal adhesion behavior of the Car9 solid-binding peptide: an integrated experimental and simulation study. Journal of the American Chemical Society. PMID 31934768 DOI: 10.1021/Jacs.9B11617 |
0.419 |
|
| 2020 |
Sampath J, Alamdari S, Pfaendtner J. Closing the Gap Between Modeling and Experiments in the Self-assembly of Biomolecules at Interfaces and in Solution Chemistry of Materials. DOI: 10.1021/Acs.Chemmater.0C01891 |
0.744 |
|
| 2019 |
Emani PS, Yimer YY, Davidowski SK, Gebhart RN, Ferreira HE, Kuprov I, Pfaendtner J, Drobny GP. Combining Molecular and Spin Dynamics Simulations with Solid-State NMR: A Case Study of Amphiphilic Lysine-Leucine Repeat Peptide Aggregates. The Journal of Physical Chemistry. B. PMID 31769684 DOI: 10.1021/Acs.Jpcb.9B09245 |
0.354 |
|
| 2019 |
Smith J, McMullen P, Yuan Z, Pfaendtner J, Jiang S. Elucidating molecular design principles for charge-alternating peptides. Biomacromolecules. PMID 31738521 DOI: 10.1021/Acs.Biomac.9B01191 |
0.376 |
|
| 2019 |
Pfaendtner J. Metadynamics to Enhance Sampling in Biomolecular Simulations. Methods in Molecular Biology (Clifton, N.J.). 2022: 179-200. PMID 31396904 DOI: 10.1007/978-1-4939-9608-7_8 |
0.333 |
|
| 2019 |
Bonomi M, Bussi G, Camilloni C, Tribello GA, Banáš P, Barducci A, Bernetti M, Bolhuis PG, Bottaro S, Branduardi D, Capelli R, Carloni P, Ceriotti M, Cesari A, Chen H, ... ... Pfaendtner J, et al. Promoting transparency and reproducibility in enhanced molecular simulations Nature Methods. 16: 670-673. PMID 31363226 DOI: 10.1038/S41592-019-0506-8 |
0.331 |
|
| 2019 |
Wolf CM, Kanekal KH, Yimer YY, Tyagi M, Omar-Diallo S, Pakhnyuk V, Luscombe CK, Pfaendtner J, Pozzo LD. Assessment of molecular dynamics simulations for amorphous poly(3-hexylthiophene) using neutron and X-ray scattering experiments. Soft Matter. PMID 31183486 DOI: 10.1039/C9Sm00807A |
0.355 |
|
| 2019 |
Mao CM, Sampath J, Sprenger KG, Drobny GP, Pfaendtner J. Molecular Driving Forces in Peptide Adsorption to Metal Oxide Surfaces. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 30955325 DOI: 10.1021/Acs.Langmuir.8B01392 |
0.772 |
|
| 2019 |
Fu CD, He Y, Pfaendtner J. Diagnosing the Impact of External Electric Fields Chemical Kinetics: Application to Toluene Oxidation and Pyrolysis. The Journal of Physical Chemistry. A. PMID 30843399 DOI: 10.1021/Acs.Jpca.8B11780 |
0.317 |
|
| 2019 |
Buckle EL, Prakash A, Bonomi M, Sampath J, Pfaendtner J, Drobny GP. A Solid-State NMR and MD Study of the Structure of the Statherin Mutant SNa15 on Mineral Surfaces. Journal of the American Chemical Society. PMID 30618247 DOI: 10.1021/Jacs.8B10990 |
0.771 |
|
| 2019 |
Sampath J, Pfaendtner J. Amphiphilic peptide binding on crystalline vs. amorphous silica from molecular dynamics simulations Molecular Physics. 117: 3642-3650. DOI: 10.1080/00268976.2019.1657192 |
0.769 |
|
| 2018 |
Verreault D, Alamdari S, Roeters SJ, Pandey R, Pfaendtner J, Weidner T. Ice-binding site of surface-bound type III antifreeze protein partially decoupled from water. Physical Chemistry Chemical Physics : Pccp. PMID 30260363 DOI: 10.1039/C8Cp03382J |
0.313 |
|
| 2018 |
Oleson KR, Sprenger KG, Pfaendtner J, Schwartz DT. Inhibition of the Exoglucanase CEL7A by a Douglas-fir Condensed Tannin. The Journal of Physical Chemistry. B. PMID 30111095 DOI: 10.1021/Acs.Jpcb.8B05850 |
0.328 |
|
| 2018 |
Oliveira LFL, Fu CD, Pfaendtner J. Density functional tight-binding and infrequent metadynamics can capture entropic effects in intramolecular hydrogen transfer reactions. The Journal of Chemical Physics. 148: 154101. PMID 29679963 DOI: 10.1063/1.5021359 |
0.346 |
|
| 2018 |
Mafi A, Abbina S, Kalathottukaren MT, Morrissey JH, Haynes C, Kizhakkedathu JN, Pfaendtner J, Chou KC. Design of Polyphosphate Inhibitors: a Molecular Dynamics Investigation on Polyethylene-glycol-linked Cationic Binding Groups. Biomacromolecules. PMID 29539260 DOI: 10.1021/Acs.Biomac.8B00327 |
0.366 |
|
| 2018 |
Prakash A, Baer MD, Mundy CJ, Pfaendtner J. Peptoid backbone flexibility dictates its interaction with water and surfaces: A molecular dynamics investigation. Biomacromolecules. PMID 29443506 DOI: 10.1021/Acs.Biomac.7B01813 |
0.418 |
|
| 2018 |
Sprenger KG, Plaks JG, Kaar JL, Pfaendtner J. Elucidating sequence and solvent specific design targets to protect and stabilize enzymes for biocatalysis in ionic liquids. Physical Chemistry Chemical Physics : Pccp. 19: 17426-17433. PMID 28650512 DOI: 10.1039/C7Cp03013D |
0.308 |
|
| 2017 |
Summers SR, Sprenger KG, Pfaendtner J, Marchant J, Summers MF, Kaar JL. Mechanism of Competitive Inhibition and Destabilization of Acidothermus Cellulolyticus Endoglucanase 1 by Ionic Liquids. The Journal of Physical Chemistry. B. PMID 29120187 DOI: 10.1021/Acs.Jpcb.7B08435 |
0.301 |
|
| 2017 |
Donovan MA, Lutz H, Yimer YY, Pfaendtner J, Bonn M, Weidner T. LK peptide side chain dynamics at interfaces are independent of secondary structure. Physical Chemistry Chemical Physics : Pccp. PMID 29043310 DOI: 10.1039/C7Cp05897G |
0.393 |
|
| 2017 |
Sprenger KG, Prakash A, Drobny GP, Pfaendtner J. Investigating the role of phosphorylation in the binding of silaffin peptide R5 to silica with molecular dynamics simulations. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28981294 DOI: 10.1021/Acs.Langmuir.7B02868 |
0.394 |
|
| 2017 |
Smith JK, Jiang S, Pfaendtner J. Redefining the protein-protein interface: Coarse-graining and combinatorics for an improved understanding of amino acid contributions to protein-protein binding affinity. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28850233 DOI: 10.1021/Acs.Langmuir.7B02438 |
0.314 |
|
| 2017 |
Prakash A, Sprenger KG, Pfaendtner J. Essential slow degrees of freedom in protein-surface simulations: A metadynamics investigation. Biochemical and Biophysical Research Communications. PMID 28720500 DOI: 10.1016/J.Bbrc.2017.07.066 |
0.382 |
|
| 2017 |
Lutz H, Jaeger V, Schmüser L, Bonn M, Pfaendtner J, Weidner T. The Structure of the Diatom Silaffin Peptide R5 within Freestanding Two-Dimensional Biosilica Sheets. Angewandte Chemie (International Ed. in English). PMID 28608998 DOI: 10.1002/Anie.201702707 |
0.374 |
|
| 2017 |
Smith J, Sprenger KG, Liao R, Joseph A, Nance E, Pfaendtner J. Determining dominant driving forces affecting controlled protein release from polymeric nanoparticles. Biointerphases. 12: 02D412. PMID 28525957 DOI: 10.1116/1.4983154 |
0.323 |
|
| 2017 |
Prakash A, Pfaendtner J, Chun J, Mundy CJ. Quantifying the Molecular-Scale Aqueous Response to the Mica Surface The Journal of Physical Chemistry C. 121: 18496-18504. DOI: 10.1021/Acs.Jpcc.7B03229 |
0.322 |
|
| 2017 |
Palunas K, Sprenger K, Weidner T, Pfaendtner J. Effect of an ionic liquid/air Interface on the structure and dynamics of amphiphilic peptides Journal of Molecular Liquids. 236: 404-413. DOI: 10.1016/J.Molliq.2017.04.027 |
0.374 |
|
| 2017 |
Lu H, Yimer Y, Berger R, Bonn M, Pfaendtner J, Weidner T. Surface Assembly: Thiolated Lysine-Leucine Peptides Self-Assemble into Biosilica Nucleation Pits on Gold Surfaces (Adv. Mater. Interfaces 16/2017) Advanced Materials Interfaces. 4. DOI: 10.1002/Admi.201770079 |
0.35 |
|
| 2017 |
Lu H, Yimer Y, Berger R, Bonn M, Pfaendtner J, Weidner T. Thiolated Lysine-Leucine Peptides Self-Assemble into Biosilica Nucleation Pits on Gold Surfaces Advanced Materials Interfaces. 4: 1700399. DOI: 10.1002/Admi.201700399 |
0.401 |
|
| 2016 |
Lutz H, Jaeger V, Bonn M, Pfaendtner J, Weidner T. Acetylation dictates the morphology of nanophase biosilica precipitated by a 14-amino acid leucine-lysine peptide. Journal of Peptide Science : An Official Publication of the European Peptide Society. PMID 28028919 DOI: 10.1002/Psc.2960 |
0.354 |
|
| 2016 |
Jaeger VW, Pfaendtner J. Destabilization of Human Serum Albumin by Ionic Liquids Studied Using Enhanced Molecular Dynamics Simulations. The Journal of Physical Chemistry. B. PMID 27809527 DOI: 10.1021/Acs.Jpcb.6B09410 |
0.308 |
|
| 2016 |
Beckner WA, He Y, Pfaendtner J. Chain Flexibility in Self-Assembled Monolayers Affects Protein Adsorption and Surface Hydration, a Molecular Dynamics Study. The Journal of Physical Chemistry. B. PMID 27643945 DOI: 10.1021/Acs.Jpcb.6B05882 |
0.349 |
|
| 2016 |
Sprenger KG, Pfaendtner J. Strong Electrostatic Interactions Lead to Entropically Favorable Binding of Peptides to Charged Surfaces. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 27181161 DOI: 10.1021/Acs.Langmuir.6B01296 |
0.418 |
|
| 2016 |
Donovan MA, Yimer Y, Pfaendtner J, Backus EH, Bonn M, Weidner T. Ultrafast reorientational dynamics of leucine at the air-water interface. Journal of the American Chemical Society. PMID 27057584 DOI: 10.1021/Jacs.6B01878 |
0.343 |
|
| 2016 |
Sprenger KG, Choudhury A, Kaar JL, Pfaendtner J. The Lytic Polysaccharide Monooxygenases ScLPMO10B and ScLPMO10C Are Stable in Ionic Liquids as Determined by Molecular Simulations. The Journal of Physical Chemistry. B. PMID 27052057 DOI: 10.1021/Acs.Jpcb.6B01688 |
0.303 |
|
| 2016 |
Hough BR, Schwartz DT, Pfaendtner J. Detailed Kinetic Modeling of Lignin Pyrolysis for Process Optimization Industrial & Engineering Chemistry Research. 55: 9147-9153. DOI: 10.1021/Acs.Iecr.6B02092 |
0.31 |
|
| 2015 |
Bereau T, Bennett WF, Pfaendtner J, Deserno M, Karttunen M. Folding and insertion thermodynamics of the transmembrane WALP peptide. The Journal of Chemical Physics. 143: 243127. PMID 26723612 DOI: 10.1063/1.4935487 |
0.383 |
|
| 2015 |
Fleming KL, Tiwary P, Pfaendtner J. A New Approach for Investigating Reaction Dynamics and Rates with Ab Initio Calculations. The Journal of Physical Chemistry. A. PMID 26690335 DOI: 10.1021/Acs.Jpca.5B10667 |
0.348 |
|
| 2015 |
Pfaendtner J, Bonomi M. Efficient Sampling of High-Dimensional Free-Energy Landscapes with Parallel Bias Metadynamics. Journal of Chemical Theory and Computation. 11: 5062-7. PMID 26574304 DOI: 10.1021/Acs.Jctc.5B00846 |
0.303 |
|
| 2015 |
Levine ZA, Fischer SA, Shea JE, Pfaendtner J. Trp-Cage Folding on Organic Surfaces. The Journal of Physical Chemistry. B. 119: 10417-25. PMID 26207727 DOI: 10.1021/Acs.Jpcb.5B04213 |
0.387 |
|
| 2015 |
Elder RM, Pfaendtner J, Jayaraman A. Effect of Hydrophobic and Hydrophilic Surfaces on the Stability of Double-Stranded DNA. Biomacromolecules. 16: 1862-9. PMID 25961882 DOI: 10.1021/Acs.Biomac.5B00469 |
0.317 |
|
| 2015 |
Sprenger KG, Jaeger VW, Pfaendtner J. The general AMBER force field (GAFF) can accurately predict thermodynamic and transport properties of many ionic liquids. The Journal of Physical Chemistry. B. 119: 5882-95. PMID 25853313 DOI: 10.1021/Acs.Jpcb.5B00689 |
0.316 |
|
| 2015 |
Newbloom GM, Hoffmann SM, West AF, Gile MC, Sista P, Cheung HK, Luscombe CK, Pfaendtner J, Pozzo LD. Solvatochromism and conformational changes in fully dissolved poly(3-alkylthiophene)s. Langmuir : the Acs Journal of Surfaces and Colloids. 31: 458-68. PMID 25486225 DOI: 10.1021/La503666X |
0.332 |
|
| 2015 |
Barducci A, Pfaendtner J, Bonomi M. Tackling sampling challenges in biomolecular simulations. Methods in Molecular Biology (Clifton, N.J.). 1215: 151-71. PMID 25330963 DOI: 10.1007/978-1-4939-1465-4_8 |
0.325 |
|
| 2015 |
Zheng S, Pfaendtner J. Enhanced sampling of chemical and biochemical reactions with metadynamics Molecular Simulation. 41: 55-72. DOI: 10.1080/08927022.2014.923574 |
0.553 |
|
| 2015 |
Lutz H, Jaeger V, Berger R, Bonn M, Pfaendtner J, Weidner T. Biomimetic Growth of Ultrathin Silica Sheets Using Artificial Amphiphilic Peptides Advanced Materials Interfaces. DOI: 10.1002/Admi.201500282 |
0.301 |
|
| 2014 |
Jarin Z, Pfaendtner J. Ionic Liquids Can Selectively Change the Conformational Free-Energy Landscape of Sugar Rings. Journal of Chemical Theory and Computation. 10: 507-10. PMID 26580028 DOI: 10.1021/Ct4010036 |
0.324 |
|
| 2014 |
Baio JE, Zane A, Jaeger V, Roehrich AM, Lutz H, Pfaendtner J, Drobny GP, Weidner T. Diatom mimics: directing the formation of biosilica nanoparticles by controlled folding of lysine-leucine peptides. Journal of the American Chemical Society. 136: 15134-7. PMID 25285787 DOI: 10.1021/Ja5078238 |
0.339 |
|
| 2014 |
Burney PR, White N, Pfaendtner J. Structural effects of methionine oxidation on isolated subdomains of human fibrin D and αC regions. Plos One. 9: e86981. PMID 24475207 DOI: 10.1371/Journal.Pone.0086981 |
0.328 |
|
| 2014 |
Zheng S, Pfaendtner J. Car-Parrinello molecular dynamics + metadynamics study of high-temperature methanol oxidation reactions using generic collective variables Journal of Physical Chemistry C. 118: 10764-10770. DOI: 10.1021/Jp500398K |
0.544 |
|
| 2014 |
Burney PR, Pfaendtner J. Studying the Effects of Methionine Oxidation on Human Fibrin with Multiscale Simulations Biophysical Journal. 106: 608a-609a. DOI: 10.1016/J.Bpj.2013.11.3367 |
0.331 |
|
| 2014 |
Deighan M, Weidner T, Pfaendtner J. Structural Insights on the Statherin N-Terminal Binding Domain in the Adsorbed State Biophysical Journal. 106: 38a. DOI: 10.1016/J.Bpj.2013.11.286 |
0.395 |
|
| 2013 |
Fleming KL, Pfaendtner J. Characterizing the catalyzed hydrolysis of β-1,4 glycosidic bonds using density functional theory. The Journal of Physical Chemistry. A. 117: 14200-8. PMID 24266504 DOI: 10.1021/Jp4081178 |
0.336 |
|
| 2013 |
Deighan M, Pfaendtner J. Exhaustively sampling peptide adsorption with metadynamics. Langmuir : the Acs Journal of Surfaces and Colloids. 29: 7999-8009. PMID 23706011 DOI: 10.1021/La4010664 |
0.389 |
|
| 2013 |
White AD, Keefe AJ, Ella-Menye JR, Nowinski AK, Shao Q, Pfaendtner J, Jiang S. Free energy of solvated salt bridges: a simulation and experimental study. The Journal of Physical Chemistry. B. 117: 7254-9. PMID 23697872 DOI: 10.1021/Jp4024469 |
0.353 |
|
| 2013 |
Jaeger VW, Pfaendtner J. Structure, dynamics, and activity of xylanase solvated in binary mixtures of ionic liquid and water. Acs Chemical Biology. 8: 1179-86. PMID 23517495 DOI: 10.1021/Cb3006837 |
0.302 |
|
| 2013 |
Burney PR, Pfaendtner J. Structural and dynamic features of Candida rugosa lipase 1 in water, octane, toluene, and ionic liquids BMIM-PF6 and BMIM-NO3. The Journal of Physical Chemistry. B. 117: 2662-70. PMID 23387335 DOI: 10.1021/Jp312299D |
0.321 |
|
| 2012 |
Deighan M, Bonomi M, Pfaendtner J. Efficient Simulation of Explicitly Solvated Proteins in the Well-Tempered Ensemble. Journal of Chemical Theory and Computation. 8: 2189-92. PMID 26588950 DOI: 10.1021/Ct300297T |
0.328 |
|
| 2012 |
Pfaendtner J, Volkmann N, Hanein D, Dalhaimer P, Pollard TD, Voth GA. Key structural features of the actin filament Arp2/3 complex branch junction revealed by molecular simulation. Journal of Molecular Biology. 416: 148-61. PMID 22206989 DOI: 10.1016/J.Jmb.2011.12.025 |
0.362 |
|
| 2010 |
Pfaendtner J, De La Cruz EM, Voth GA. Actin filament remodeling by actin depolymerization factor/cofilin. Proceedings of the National Academy of Sciences of the United States of America. 107: 7299-304. PMID 20368459 DOI: 10.1073/Pnas.0911675107 |
0.315 |
|
| 2010 |
Pfaendtner J, Lyman E, Pollard TD, Voth GA. Structure and dynamics of the actin filament. Journal of Molecular Biology. 396: 252-63. PMID 19931282 DOI: 10.1016/J.Jmb.2009.11.034 |
0.342 |
|
| 2010 |
Pfaendtner J, Voth GA. Simulation Reveals Fundamental Behavior of the Actin Filament and Arp2/3 Branch Junction Biophysical Journal. 98: 556a. DOI: 10.1016/J.Bpj.2009.12.3013 |
0.332 |
|
| 2009 |
Zhang Z, Pfaendtner J, Grafmüller A, Voth GA. Defining coarse-grained representations of large biomolecules and biomolecular complexes from elastic network models. Biophysical Journal. 97: 2327-37. PMID 19843465 DOI: 10.1016/J.Bpj.2009.08.007 |
0.33 |
|
| 2009 |
Pfaendtner J, Branduardi D, Parrinello M, Pollard TD, Voth GA. Nucleotide-dependent conformational states of actin. Proceedings of the National Academy of Sciences of the United States of America. 106: 12723-8. PMID 19620726 DOI: 10.1073/Pnas.0902092106 |
0.326 |
|
| 2008 |
Pfaendtner J, Voth GA. Molecular dynamics simulation and coarse-grained analysis of the Arp2/3 complex. Biophysical Journal. 95: 5324-33. PMID 18805923 DOI: 10.1529/Biophysj.108.143313 |
0.331 |
|
| 2008 |
Zhang Z, Lu L, Noid WG, Krishna V, Pfaendtner J, Voth GA. A systematic methodology for defining coarse-grained sites in large biomolecules. Biophysical Journal. 95: 5073-83. PMID 18757560 DOI: 10.1529/Biophysj.108.139626 |
0.333 |
|
| 2008 |
Lyman E, Pfaendtner J, Voth GA. Systematic multiscale parameterization of heterogeneous elastic network models of proteins. Biophysical Journal. 95: 4183-92. PMID 18658214 DOI: 10.1529/Biophysj.108.139733 |
0.314 |
|
| 2008 |
Yu X, Pfaendtner J, Broadbelt LJ. Ab initio study of acrylate polymerization reactions: methyl methacrylate and methyl acrylate propagation. The Journal of Physical Chemistry. A. 112: 6772-82. PMID 18588274 DOI: 10.1021/Jp800643A |
0.665 |
|
| 2008 |
Pfaendtner J, Broadbelt LJ. Mechanistic modeling of lubricant degradation. 2. the autoxidation of decane and octane Industrial and Engineering Chemistry Research. 47: 2897-2904. DOI: 10.1021/Ie071481Z |
0.525 |
|
| 2008 |
Pfaendtner J, Broadbelt LJ. Mechanistic modeling of lubricant degradation. 1. Structure - reactivity relationships for free-radical oxidation Industrial and Engineering Chemistry Research. 47: 2886-2896. DOI: 10.1021/Ie0714807 |
0.533 |
|
| 2008 |
Broadbelt LJ, Pfaendtner J. Mechanistic modeling of lubricant degradation: The autoxidation of alkanes Acs National Meeting Book of Abstracts. |
0.424 |
|
| 2007 |
Pfaendtner J, Broadbelt LJ. Contra-thermodynamic behavior in intermolecular hydrogen transfer of alkylperoxy radicals. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 8: 1969-78. PMID 17680581 DOI: 10.1002/Cphc.200700161 |
0.531 |
|
| 2007 |
Pfaendtner J, Broadbelt LJ. Elucidation of structure-reactivity relationships in hindered phenols via quantum chemistry and transition state theory Chemical Engineering Science. 62: 5232-5239. DOI: 10.1016/J.Ces.2006.12.080 |
0.528 |
|
| 2007 |
Pfaendtner J, Yu X, Broadbelt LJ. The 1-D hindered rotor approximation Theoretical Chemistry Accounts. 118: 881-898. DOI: 10.1007/S00214-007-0376-5 |
0.665 |
|
| 2006 |
Pfaendtner J, Yu X, Broadbelt LJ. Quantum chemical investigation of low-temperature intramolecular hydrogen transfer reactions of hydrocarbons. The Journal of Physical Chemistry. A. 110: 10863-71. PMID 16970383 DOI: 10.1021/Jp061649E |
0.674 |
|
| 2005 |
Broadbelt LJ, Pfaendtner J. Lexicography of kinetic modeling of complex reaction networks Aiche Journal. 51: 2112-2121. DOI: 10.1002/Aic.10599 |
0.494 |
|
| 2005 |
Pfaendtner J, Broadbelt LJ, Wang QJ. Quantum chemical studies of free-radical, hindered phenol stabilizers Proceedings of the World Tribology Congress Iii - Wtc 2005. |
0.427 |
|
| 2005 |
Pfaendtner J, Broadbelt LJ, Wang QJ. Strategies for constructing reaction networks of lubricant degradation Proceedings of the World Tribology Congress Iii - 2005. 917-918. |
0.422 |
|
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