Works matching Gas-Phase Models

Results: 747

Construction and validation of a detailed gas-phase chemical reaction model for ammonium-dinitramide based ionic liquids.

Published in:

Science & Technology of Energetic Materials, 2020, v. 81, n. 2, p. 53

By:

Noboru Itouyam;
Yu-ichiro Izato;
Atsumi Miyake;
Hiroto Habu

Publication type:

Article

A Critical Remark on the Applications of Gas-Phase Biofilter (Packed-Bed Bioreactor) Models in Aqueous Systems.

Published in:

Bioengineering (Basel), 2022, v. 9, n. 11, p. 657, doi. 10.3390/bioengineering9110657

By:

Shareefdeen, Zarook;
Qasim, Muhammad

Publication type:

Article

Double Bond Migration Mechanism in Allyl Systems Involving the Hydroxide Ion. 1. Gas-Phase and Born–Onsager Models.

Published in:

Journal of Structural Chemistry, 2004, v. 45, n. 1, p. 12, doi. 10.1023/B:JORY.0000041496.30502.85

By:

Kobychev, V. B.;
Pavlova, N. V.

Publication type:

Article

基于超快速气相电子鼻及 Feller 加成模型的胡椒精油特征香气成分分析.

Published in:

China Food Additives, 2023, v. 34, n. 12, p. 238, doi. 10.19804/j.issn1006-2513.2023.12.031

By:

张玉涵;
魏占姣;
蒋云聪;
齐立军

Publication type:

Article

Development of a mesoscale model for the gas phase fluid dynamics in structured packings based on fundamental experiments and CFD investigations.

Published in:

Chemical Engineering Research & Design: Transactions of the Institution of Chemical Engineers Part A, 2019, v. 147, p. 430, doi. 10.1016/j.cherd.2019.04.032

By:

Sacher, Johannes;
Repke, Jens-Uwe

Publication type:

Article

Surface Model for Gas-Phase Polymerizations of Ethylene and Propylene Using Supported Metallocene/Methylalumoxane Catalysts.

Published in:

Israel Journal of Chemistry, 2002, v. 42, n. 4, p. 367, doi. 10.1560/WGH0-XLDH-BNNE-EU6C

By:

Kaminsky, Walter;
Lemstra, Piet J.;
Loos, Joachim;
Müller, Fabian;
Niemantsverdriet, J. W. (Hans);
Thüne, Peter C.;
Weingarten, Ulrich

Publication type:

Article

Simulation of aromatic SOA formation using the lumping model integrated with explicit gas-phase kinetic mechanisms and aerosol-phase reactions.

Published in:

Atmospheric Chemistry & Physics, 2014, v. 14, n. 8, p. 4013, doi. 10.5194/acp-14-4013-2014

By:

Im, Y.;
Jang, M.;
Beardsley, R. L.

Publication type:

Article

Development and evaluation of the aerosol dynamics and gas phase chemistry model ADCHEM.

Published in:

Atmospheric Chemistry & Physics, 2011, v. 11, n. 12, p. 5867, doi. 10.5194/acp-11-5867-2011

By:

Roldin, P.;
Swietlicki, E.;
Schurgers, G.;
Arneth, A.;
Lehtinen, K. E. J.;
Boy, M.;
Kulmala, M.

Publication type:

Article

C versus O Protonation in Zincate Anions: A Simple Gas‐Phase Model for the Surprising Kinetic Stability of Organometallics.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 22, p. 1, doi. 10.1002/chem.202203611

By:

Rahrt, Rene;
Koszinowski, Konrad

Publication type:

Article

Front Cover: Gas‐Phase Errors Affect DFT‐Based Electrocatalysis Models of Oxygen Reduction to Hydrogen Peroxide (ChemElectroChem 11/2022).

Published in:

ChemElectroChem, 2022, v. 9, n. 12, p. 1, doi. 10.1002/celc.202200506

By:

Almeida, Michell O.;
Kolb, Manuel J.;
Lanza, Marcos R. V.;
Illas, Francesc;
Calle‐Vallejo, Federico

Publication type:

Article

A PERMEABILITY MODEL FOR WATER–GAS PHASE FLOW IN FRACTAL FRACTURE NETWORKS.

Published in:

Fractals, 2018, v. 26, n. 6, p. N.PAG, doi. 10.1142/S0218348X18500871

By:

MIAO, TONGJUN;
CHEN, AIMIN;
XU, YAN;
CHENG, SUJUN;
WANG, KEDONG

Publication type:

Article

Implementation and evaluation of online gas-phase chemistry within a regional climate model (RegCM-CHEM4).

Published in:

Geoscientific Model Development Discussions, 2012, v. 5, n. 1, p. 149, doi. 10.5194/gmdd-5-149-2012

By:

Shalaby, A. K.;
Zakey, A. S.;
Tawfik, A. B.;
Solmon, F.;
Giorgi, F.;
Stordal, F.;
Sillman, S.;
Zaveri, R. A.;
Steiner, A. L.

Publication type:

Article

Simulation of aromatic SOA formation using the lumping model integrated with explicit gas-phase kinetic mechanisms and aerosol-phase reactions.

Published in:

Atmospheric Chemistry & Physics Discussions, 2013, v. 13, n. 3, p. 5843, doi. 10.5194/acpd-13-5843-2013

By:

Im, Y.;
Jang, M.;
Beardsley, R. L.

Publication type:

Article

Development and evaluation of the aerosol dynamic and gas phase chemistry model ADCHEM.

Published in:

Atmospheric Chemistry & Physics Discussions, 2010, v. 10, n. 8, p. 18661, doi. 10.5194/acpd-10-18661-2010

By:

Roldin, P.;
Swietlicki, E.;
Schurgers, G.;
Arneth, A.;
Lehtinen, K. E. J.;
Boy, M.;
Kulmala, M.

Publication type:

Article

Air Gap Microcell for Scanning Electrochemical Microscopic Imaging of Carbon Dioxide Output. Model Calculation and Gas Phase SECM Measurements for Estimation of Carbon Dioxide Producing Activity of Microbial Sources.

Published in:

Electroanalysis, 2011, v. 23, n. 10, p. 2320, doi. 10.1002/elan.201100180

By:

Kiss, András;
Kiss, Laszló;
Kovács, Barna;
Nagy, Géza

Publication type:

Article

Base‐Assisted Conversion of Protonated D‐Fructose to 5‐HMF: Searching for Gas‐Phase Green Models.

Published in:

ChemistryOpen, 2019, v. 8, n. 9, p. 1190, doi. 10.1002/open.201900173

By:

Troiani, Anna;
de Petris, Giulia;
Pepi, Federico;
Garzoli, Stefania;
Salvitti, Chiara;
Rosi, Marzio;
Ricci, Andreina

Publication type:

Article

Using ellipsoids to model charge distributions in gas phase protein complex ion dissociation.

Published in:

Canadian Journal of Chemistry, 2004, v. 82, n. 12, p. 1736, doi. 10.1139/V04-154

By:

Csiszar, Susan;
Thachuk, Mark

Publication type:

Article

Impact of urbanization on gas-phase pollutant concentrations: a regional-scale, model-based analysis of the contributing factors.

Published in:

Atmospheric Chemistry & Physics, 2022, v. 22, n. 18, p. 12647, doi. 10.5194/acp-22-12647-2022

By:

Huszar, Peter;
Karlický, Jan;
Bartík, Lukáš;
Liaskoni, Marina;
Prieto Perez, Alvaro Patricio;
Šindelářová, Kateřina

Publication type:

Article

Excess air in the noble gas groundwater paleothermometer: A new model based on diffusion in the gas phase.

Published in:

Geophysical Research Letters, 2008, v. 35, n. 19, p. n/a, doi. 10.1029/2008GL035018

By:

Sun, Tie;
Hall, Chris M.;
Castro, Maria Clara;
Lohmann, Kyger C.;
Goblet, Patrick

Publication type:

Article

A Gas‐Phase CanMn4−nO4+ Cluster Model for the Oxygen‐Evolving Complex of Photosystem II.

Published in:

Angewandte Chemie, 2019, v. 131, n. 25, p. 8592, doi. 10.1002/ange.201903738

By:

Mauthe, Silvia;
Fleischer, Irene;
Bernhardt, Thorsten M.;
Lang, Sandra M.;
Barnett, Robert N.;
Landman, Uzi

Publication type:

Article

Crystal Structure Characterization, Independent Gradient Model Analysis, and Gas‐Phase‐Mediated Transformation of Nicosulfuron DMF Solvate and Hydrate.

Published in:

Crystal Research & Technology, 2019, v. 54, n. 6, p. N.PAG, doi. 10.1002/crat.201800244

By:

Chen, Liang;
Zhou, Ling;
Zhang, Xia;
Yang, Yongfan;
Zhang, Shihao;
Yang, Wenchao;
Xie, Chuang;
Hou, Baohong;
Bao, Ying;
Yin, Qiuxiang

Publication type:

Article

Gas‐phase errors affect DFT‐based electrocatalysis models of oxygen reduction to hydrogen peroxide.

Published in:

ChemElectroChem, 2022, v. 9, n. 12, p. 1, doi. 10.1002/celc.202200210

By:

Almeida, Michell O.;
Kolb, Manuel J.;
Lanza, Marcos R. V.;
Illas, Francesc;
Calle‐Vallejo, Federico

Publication type:

Article

Gas‐Phase Errors Affect DFT‐Based Electrocatalysis Models of Oxygen Reduction to Hydrogen Peroxide.

Published in:

ChemElectroChem, 2022, v. 9, n. 12, p. 1, doi. 10.1002/celc.202200210

By:

Almeida, Michell O.;
Kolb, Manuel J.;
Lanza, Marcos R. V.;
Illas, Francesc;
Calle‐Vallejo, Federico

Publication type:

Article

Screening gas‐phase chemical kinetic models: Collision limit compliance and ultrafast timescales.

Published in:

International Journal of Chemical Kinetics, 2020, v. 52, n. 9, p. 599, doi. 10.1002/kin.21373

By:

Yalamanchi, Kiran K.;
Tingas, Efstathios‐Al;
Im, Hong G.;
Sarathy, S. Mani

Publication type:

Article

Description and evaluation of the Multiscale Online Nonhydrostatic AtmospheRe CHemistry model (NMMB-MONARCH) version 1.0: gas-phase chemistry at global scale.

Published in:

Geoscientific Model Development, 2017, v. 10, n. 2, p. 609, doi. 10.5194/gmd-10-609-2017

By:

Badia, Alba;
Jorba, Oriol;
Voulgarakis, Apostolos;
Dabdub, Donald;
García-Pando, Carlos Pérez;
Hilboll, Andreas;
Gonçalves, María;
Janjic, Zavisa

Publication type:

Article

Implementation and evaluation of online gas-phase chemistry within a regional climate model (RegCM-CHEM4).

Published in:

Geoscientific Model Development, 2012, v. 5, n. 3, p. 741, doi. 10.5194/gmd-5-741-2012

By:

Shalaby, A.;
Zakey, A. S.;
Tawfik, A. B.;
Solmon, F.;
Giorgi, F.;
Stordal, F.;
Sillman, S.;
Zaveri, R. A.;
Steiner, A. L.

Publication type:

Article

A kinetic model for industrial gas-phase ethylene copolymerization.

Published in:

AIChE Journal, 1990, v. 36, n. 6, p. 837, doi. 10.1002/aic.690360605

By:

McAuley, K. B.;
MacGregor, J. F.;
Hamielec, A. E.

Publication type:

Article

Atomistic simulations of materials for optical chemical sensors: DFT-D calculations of molecular interactions between gas-phase analyte molecules and simple substrate models.

Published in:

Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 1855, doi. 10.1007/s00894-010-0882-6

By:

Safonov, Andrey;
Rykova, Elena;
Bagaturyants, Alexander;
Sazhnikov, Vyacheslav;
Alfimov, Michael

Publication type:

Article

Impact of urbanization on gas-phase pollutant concentrations: a regional scale, model based analysis of the contributing factors.

Published in:

Atmospheric Chemistry & Physics Discussions, 2022, p. 1, doi. 10.5194/acp-2022-337

By:

Huszar, Peter;
Karlický, Jan;
Bartík, Lukáš;
Liaskoni, Marina;
Perez, Alvaro Patricio Prieto;
Šindelářová, Kateřina

Publication type:

Article

粘弹性薄膜吸附的QCM气相BVD模型研究.

Published in:

Piezoelectrics & Acoustooptics, 2020, v. 42, n. 4, p. 456, doi. 10.11977/j.issn.1004.2474.2020.04.006

By:

葛赐雨;
廖霜;
唐瑾菲;
张馨予;
谭峰

Publication type:

Article

New light on acetone: a master equation model for gas phase photophysics and photochemistry.

Published in:

Molecular Physics, 2021, v. 119, n. 17/18, p. 1, doi. 10.1080/00268976.2021.1958018

By:

Barker, John R.

Publication type:

Article

Tracking of the molecular geometrical changes in the primary event of photoinduced ring-opening reactions of a spiropyran model in gas phase.

Published in:

Molecular Physics, 2021, v. 119, n. 4, p. 1, doi. 10.1080/00268976.2020.1814971

By:

Luo, Jianhui;
Zhou, Guocui;
Zheng, Haixia;
Zhan, Kaiyun;
Liu, Bing;
Zhao, Li

Publication type:

Article

Investigation into the Gaussian time-dependence of the rate coefficient in dispersive kinetic models applied to simple gas-phase chemical reactions.

Published in:

Molecular Physics, 2014, v. 112, n. 1, p. 97, doi. 10.1080/00268976.2013.801528

By:

Skrdla, Peter J.

Publication type:

Article

Impact of gas-phase mechanisms on Weather Research Forecasting Model with Chemistry (WRF/Chem) predictions: Mechanism implementation and comparative evaluation.

Published in:

Journal of Geophysical Research. Atmospheres, 2012, v. 117, n. D1, p. n/a, doi. 10.1029/2011JD015775

By:

Zhang, Yang;
Chen, Yaosheng;
Sarwar, Golam;
Schere, Kenneth

Publication type:

Article

Pulsed plasma initiated chemical vapor deposition (PiCVD) of polymer layers − A kinetic model for the description of gas phase to surface interactions in pulsed plasma discharges.

Published in:

Plasma Processes & Polymers, 2018, v. 15, n. 12, p. N.PAG, doi. 10.1002/ppap.201800121

By:

Loyer, François;
Bulou, Simon;
Choquet, Patrick;
Boscher, Nicolas D.

Publication type:

Article

Interactions of Small Protected Peptides with Aminopyrazole Derivatives: The Efficiency of Blocking a β-Sheet Model in the Gas Phase.

Published in:

Angewandte Chemie International Edition, 2009, v. 48, n. 5, p. 900, doi. 10.1002/anie.200802396

By:

Fricke, Holger;
Gerlach, Andreas;
Unterberg, Claus;
Wehner, Mark;
Schrader, Thomas;
Gerhards, Markus

Publication type:

Article

Mathematical Model and Parameter Estimation for Gas-Phase Ethylene/Hexene Copolymerization With Metallocene Catalyst.

Published in:

Macromolecular Materials & Engineering, 2005, v. 290, n. 6, p. 537, doi. 10.1002/mame.200400392

By:

Bo Kou;
Kim B. McAuley;
James C. C. Hsu;
David W. Bacon

Publication type:

Article

Mechanistic Aspects of F+ Transfer Reactions: A Model Study in the Gas Phase.

Published in:

Chemistry - A European Journal, 1998, v. 4, n. 11, p. 2366, doi. 10.1002/(SICI)1521-3765(19981102)4:11<2366::AID-CHEM2366>3.0.CO;2-Z

By:

Aschi, Massimiliano;
Grandinetti, Felice;
Vinciguerra, Vittorio

Publication type:

Article

Investigation of some numerical issues in a chemistry-transport model: Gas-phase simulations.

Published in:

Journal of Geophysical Research. Atmospheres, 2007, v. 112, n. D15, p. n/a, doi. 10.1029/2006JD008373

By:

Mallet, Vivien;
Pourchet, Adélaïde;
Quélo, Denis;
Sportisse, Bruno

Publication type:

Article

Development and initial evaluation of a dynamic species-resolved model for gas phase chemistry and size-resolved gas/particle partitioning associated with secondary organic aerosol formation.

Published in:

Journal of Geophysical Research. Atmospheres, 2005, v. 110, n. D5, p. n/a, doi. 10.1029/2004JD005219

By:

Griffin, Robert J.;
Dabdub, Donald;
Seinfeld, John H.

Publication type:

Article

A Gas‐Phase CanMn4−nO4+ Cluster Model for the Oxygen‐Evolving Complex of Photosystem II.

Published in:

Angewandte Chemie International Edition, 2019, v. 58, n. 25, p. 8504, doi. 10.1002/anie.201903738

By:

Mauthe, Silvia;
Fleischer, Irene;
Bernhardt, Thorsten M.;
Lang, Sandra M.;
Barnett, Robert N.;
Landman, Uzi

Publication type:

Article

Structure and Reactivity of Al−O(H)−Al Moieties in Siloxide Frameworks: Solution and Gas‐Phase Model Studies.

Published in:

Angewandte Chemie International Edition, 2019, v. 58, n. 3, p. 902, doi. 10.1002/anie.201810130

By:

Lokare, Kapil Shyam;
Braun‐Cula, Beatrice;
Limberg, Christian;
Jorewitz, Marcel;
Kelly, John T.;
Asmis, Knut R.;
Leach, Stephen;
Baldauf, Carsten;
Goikoetxea, Itziar;
Sauer, Joachim

Publication type:

Article

High-level Ab Initio Absorption Spectra Simulations of Neutral, Anionic and Neutral+ Chromophore of Green Fluorescence Protein Chromophore Models in Gas Phase and Solution.

Published in:

Photochemistry & Photobiology, 2017, v. 93, n. 6, p. 1356, doi. 10.1111/php.12778

By:

Georgieva, Ivelina;
Aquino, Adelia J. A.;
Trendafilova, Natasha;
Lischka, Hans

Publication type:

Article

Model of boron diffusion from gas phase in silicon carbide.

Published in:

Semiconductors, 2011, v. 45, n. 6, p. 705, doi. 10.1134/S1063782611060029

By:

Aleksandrov, O.;
Mokhov, E.

Publication type:

Article

Combining 13C‐NMR Triad Sequence Data with Joint Molecular Weight and Composition Data to Estimate Parameters in a Gas‐Phase Polyethylene Reactor Model.

Published in:

Macromolecular Theory & Simulations, 2023, v. 32, n. 3, p. 1, doi. 10.1002/mats.202200073

By:

Straznicky, Jakob I.;
Aiello, Jennifer P.;
Gibson, Lauren A.;
Jiang, Yan;
Boller, Timothy;
Chiang, Hsu;
McAuley, Kimberley B.

Publication type:

Article

Development of a Master Equation‐Based Microkinetic Model to Investigate Gas Phase Cluster Reactions Across a Wide Pressure and Temperature Range.

Published in:

ChemPhysChem, 2025, v. 26, n. 2, p. 1, doi. 10.1002/cphc.202400465

By:

Szalay, Máté;
Höltzl, Tibor

Publication type:

Article

Characterization of a pilot plant airlift tower loop reactor: III. Evaluation of local properties of the dispersed gas phase during yeast cultivation and in model media.

Published in:

Biotechnology & Bioengineering, 1991, v. 38, n. 1, p. 56, doi. 10.1002/bit.260380108

By:

Fröhlich, S.;
Lotz, M.;
Larson, B.;
Lübbert, A.;
Schügerl, K.;
Seekamp, M.

Publication type:

Article

On the nature of the burning rate-controlling reaction of energetic materials for the gas-phase model.

Published in:

Combustion, Explosion, & Shock Waves, 2007, v. 43, n. 3, p. 297, doi. 10.1007/s10573-007-0043-0

By:

Sinditskii, V.

Publication type:

Article

Development of a polarizable force field for proteins via ab initio quantum chemistry: First generation model and gas phase tests.

Published in:

Journal of Computational Chemistry, 2002, v. 23, n. 16, p. 1515, doi. 10.1002/jcc.10125

By:

Kaminski, George A.;
Stern, Harry A.;
Berne, B. J.;
Friesner, Richard A.;
Cao, Yixiang X.;
Murphy, Robert B.;
Zhou, Ruhong;
Halgren, Thomas A.

Publication type:

Article

Infrared spectroscopy of organometallic ions in the gas phase: From model to real world complexes.

Published in:

Mass Spectrometry Reviews, 2007, v. 26, n. 4, p. 583, doi. 10.1002/mas.20138

By:

MacAleese, Luke;
Maître, Philippe

Publication type:

Article