Search Results - "Lengyel, Istvan"

The Synthesis and Antimicrobial Evaluation of Some Spiro-Phthalidyl Benzoxazinones by Stephani, Ralph, Ferraro, Caterina, Lengyel, István

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The Preparation and Characterization of Nineteen New Phthalidyl Spirohydantoins by Lengyel, István, J. Patel, Hardik, A. Stephani, Ralph

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Rxn-INSIGHT: fast chemical reaction analysis using bond-electron matrices by Dobbelaere, Maarten R., Lengyel, István, Stevens, Christian V., Van Geem, Kevin M.

“…The challenge of devising pathways for organic synthesis remains a central issue in the field of medicinal chemistry. Over the span of six decades,…”
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Geometric deep learning for molecular property predictions with chemical accuracy across chemical space by Dobbelaere, Maarten R., Lengyel, István, Stevens, Christian V., Van Geem, Kevin M.

“…Chemical engineers heavily rely on precise knowledge of physicochemical properties to model chemical processes. Despite the growing popularity of deep…”
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A Chemical Approach to Designing Turing Patterns in Reaction-Diffusion Systems by Lengyel, Istvan, Epstein, Irving R.

“…A systematic approach is suggested to design chemical systems capable of displaying stationary, symmetry-breaking reaction diffusion patterns (Turing…”
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New One-Step Synthesis of Isonitriles by Bardsley, Kathryn, Hagigeorgiou, Michael, Lengyel, István, Cesare, Victor

“…A new one-step synthesis of isonitriles is described. The starting materials are a primary amine, chloroform, sodium hydride, and the phase-transfer catalyst…”
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A chemical mechanism for in situ boron doping during silicon chemical vapor deposition by Lengyel, Istvan, Jensen, Klavs F

“…We present a systematic approach to formulating chemical mechanisms to chemical vapor deposition processes with the unusually large growth rate enhancement…”
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Catalyst ignition and extinction: A microkinetics-based bifurcation study of adiabatic reactors for oxidative coupling of methane by Vandewalle, Laurien A., Lengyel, Istvan, West, David H., Van Geem, Kevin M., Marin, Guy B.

“…•Bifurcation behavior of gas phase and catalytic OCM in 3 adiabatic reactor types is analyzed.•Detailed microkinetic models are used for the gas phase and…”
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Fast estimation of standard enthalpy of formation with chemical accuracy by artificial neural network correction of low-level-of-theory ab initio calculations by Plehiers, Pieter P., Lengyel, Istvan, West, David H., Marin, Guy B., Stevens, Christian V., Van Geem, Kevin M.

“…•A methodology for predicting the standard enthalpy of formation of gas-phase molecules.•Accurcay of 2.5 kJ/mol average deviation from G3MP2B3 level…”
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Transient Turing Structures in a Gradient-Free Closed System by Lengyel, István, Kádár, Sándor, Epstein, Irving R.

“…Transient, symmetry-breaking, spatial patterns were obtained in a closed, gradient-free, aqueous medium containing chlorine dioxide, iodine, malonic acid, and…”
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Performance improvement for a fixed-bed reactor with layered loading catalysts of different catalytic properties for oxidative coupling of methane by Liang, Wugeng, Sarsani, Sagar, West, David, Mamedov, Aghaddin, Lengyel, Istvan, Perez, Hector, Lowrey, James

“…[Display omitted] •Ag promotes the activity of Mn-Na2WO4/SiO2 and enhances selectivity at lower reaction temperature.•Layered loading of a more active catalyst…”
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Experimental and Computational Study of Natural Gas Pyrolysis in a Pilot-Scale Cracker by Baek, Byeongjin, Nair, Balamurali, Lengyel, Istvan, Chen, Lei, Pannala, Sreekanth, VM, Retheesh, West, David

“…Experimental results for pyrolysis of natural gas, propane, Y-grade natural gas liquids, and associated gas to acetylene in a pilot-scale reactor are…”
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Annular swirling jet reactor for converting hydrocarbons to olefins and aromatics by Pannala, Sreekanth, Shtern, Vladimir, Chen, Lei, Nair, Balamurali, Baek, Byeongjin, Liu, Zheng, Retheesh, V.M., Gopalakrishnan, Murali, Turner, Steve, Lengyel, Istvan, Sankaranarayanan, Krishnan, Mier, Mike, Robichaud, David, West, David

“…•Novel high-centrifugal force reactor for cracking ethane.•Annular jet in highly swirling flows.•Hydrodynamic stabilization of robust oxy-enriched hydrogen…”
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The Role Of Path-Dependence In The Local Economic Transformation by Molnár, Ernő, Lengyel, István Máté

“…The examination focuses on the issue of path-dependence, which is considered to be the core concept of evolutionary economic geography emphasizing the…”
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Modeling Study of High Temperature Pyrolysis of Natural Gas by Gudiyella, Soumya, Buras, Zachary J, Chu, Te-Chun, Lengyel, Istvan, Pannala, Sreekanth, Green, William H

“…High temperature pyrolysis (HTP) is a commercial process to convert methane to acetylene. The HTP process consists of two reaction zones, followed by a…”
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Numerical bifurcation analysis of large-scale detailed kinetics mechanisms by Lengyel, Istvan, West, David H

“…•Efficient bifurcation analysis of large-scale kinetics mechanisms is possible.•Strategies to reduce or eliminate numerical instabilities are…”
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Turing structures in simple chemical reactions by Lengyel, Istvan, Epstein, Irving R

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Experimental and numerical study of a two-stage natural gas combustion pyrolysis reactor for acetylene production: The role of delayed mixing by Chen, Lei, Pannala, Sreekanth, Nair, Balamurali, Lengyel, Istvan, Baek, Byeongjin, Wu, Chunliang, VM, Retheesh, West, David

“…Combustion pyrolysis of natural gas is a promising process for high value-added chemicals such as alkynes and olefins. This work introduces recent experimental…”
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Synthesis and pharmacological activity of 1,3,6-trisubstituted-4-oxo-1,4-dihydroquinoline-2-carboxylic acids as selective ETA antagonists by Patel, Hardik J., Olgun, Nicole, Lengyel, István, Reznik, Sandra, Stephani, Ralph A.

“…The synthesis and structure–activity relationship studies of endothelin A antagonists 2a–m are reported. A series of…”
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Predicting polycyclic aromatic hydrocarbon formation with an automatically generated mechanism for acetylene pyrolysis by Liu, Mengjie, Chu, Te‐Chun, Jocher, Agnes, Smith, Mica C., Lengyel, Istvan, Green, William H.

“…Using Reaction Mechanism Generator (RMG), we have automatically constructed a detailed mechanism for acetylene pyrolysis, which predicts formation of…”
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