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Gromacs: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
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Abraham, Mark James
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Murtola, Teemu
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Schulz, Roland
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Páll, Szilárd
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Smith, Jeremy C.
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Hess, Berk
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Lindah, Erik
.
SoftwareX,
2015, 1-2
:19-25

Abraham, Mark James
论文数: 0 引用数: 0
h-index: 0
机构:
Theoretical Biophysics, Science for Life Laboratory, KTH Royal Institute of Technology, Solna Theoretical Biophysics, Science for Life Laboratory, KTH Royal Institute of Technology, Solna

Murtola, Teemu
论文数: 0 引用数: 0
h-index: 0
机构:
Center for Biomembrane Research, Department of Biochemistry and Biophysics, Stockholm University, Stockholm Theoretical Biophysics, Science for Life Laboratory, KTH Royal Institute of Technology, Solna

Schulz, Roland
论文数: 0 引用数: 0
h-index: 0
机构:
Oak Ridge National Laboratory, 1 Bethel Valley Road, Oak Ridge, 37831, TN
Department of Biochemistry and Cellular and Molecular Biology, University of Tennessee, M407 Walters Life Sciences, 1414 Cumberland Avenue, Knoxville, 37996, TN Theoretical Biophysics, Science for Life Laboratory, KTH Royal Institute of Technology, Solna

Páll, Szilárd
论文数: 0 引用数: 0
h-index: 0
机构:
Theoretical Biophysics, Science for Life Laboratory, KTH Royal Institute of Technology, Solna Theoretical Biophysics, Science for Life Laboratory, KTH Royal Institute of Technology, Solna

Smith, Jeremy C.
论文数: 0 引用数: 0
h-index: 0
机构:
Oak Ridge National Laboratory, 1 Bethel Valley Road, Oak Ridge, 37831, TN
Department of Biochemistry and Cellular and Molecular Biology, University of Tennessee, M407 Walters Life Sciences, 1414 Cumberland Avenue, Knoxville, 37996, TN Theoretical Biophysics, Science for Life Laboratory, KTH Royal Institute of Technology, Solna

Hess, Berk
论文数: 0 引用数: 0
h-index: 0
机构:
Theoretical Biophysics, Science for Life Laboratory, KTH Royal Institute of Technology, Solna Theoretical Biophysics, Science for Life Laboratory, KTH Royal Institute of Technology, Solna

Lindah, Erik
论文数: 0 引用数: 0
h-index: 0
机构:
Theoretical Biophysics, Science for Life Laboratory, KTH Royal Institute of Technology, Solna
Center for Biomembrane Research, Department of Biochemistry and Biophysics, Stockholm University, Stockholm Theoretical Biophysics, Science for Life Laboratory, KTH Royal Institute of Technology, Solna
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[Anonymous], 2016, Hydraulic Fracturing for Oil and Gas: Impacts from the Hydraulic Fracturing Water Cycle on Drinking Water Resources in the United States
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[Anonymous], 2015, Technically recoverable shale oil and shale gas resources
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Molecular simulation study of CO2/CH4 adsorption on realistic heterogeneous shale surfaces
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Babatunde, Kawthar Adewumi
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Negash, Berihun Mamo
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Mojid, Muhammed Rashik
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Ahmed, Tigabwa Y.
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Jufar, Shiferaw Regassa
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APPLIED SURFACE SCIENCE,
2021, 543

Babatunde, Kawthar Adewumi
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Teknol PETRONAS, Dept Petr Engn, Bandar Seri Iskandar 32610, Perak Darul Rid, Malaysia Univ Teknol PETRONAS, Dept Petr Engn, Bandar Seri Iskandar 32610, Perak Darul Rid, Malaysia

Negash, Berihun Mamo
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Teknol PETRONAS, Dept Petr Engn, Bandar Seri Iskandar 32610, Perak Darul Rid, Malaysia
Univ Teknol PETRONAS, Shale Gas Res Grp, Bandar Seri Iskandar 32610, Perak, Malaysia Univ Teknol PETRONAS, Dept Petr Engn, Bandar Seri Iskandar 32610, Perak Darul Rid, Malaysia

Mojid, Muhammed Rashik
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Teknol PETRONAS, Dept Petr Engn, Bandar Seri Iskandar 32610, Perak Darul Rid, Malaysia Univ Teknol PETRONAS, Dept Petr Engn, Bandar Seri Iskandar 32610, Perak Darul Rid, Malaysia

Ahmed, Tigabwa Y.
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Teknol PETRONAS, Shale Gas Res Grp, Bandar Seri Iskandar 32610, Perak, Malaysia Univ Teknol PETRONAS, Dept Petr Engn, Bandar Seri Iskandar 32610, Perak Darul Rid, Malaysia

Jufar, Shiferaw Regassa
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Teknol PETRONAS, Dept Petr Engn, Bandar Seri Iskandar 32610, Perak Darul Rid, Malaysia
Univ Teknol PETRONAS, Shale Gas Res Grp, Bandar Seri Iskandar 32610, Perak, Malaysia Univ Teknol PETRONAS, Dept Petr Engn, Bandar Seri Iskandar 32610, Perak Darul Rid, Malaysia
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Ballard A.L., 2002, J SUPRAMOL CHEM, V2, P385, DOI [DOI 10.1016/S1472-7862, 10.1016/S1472-7862, 10.1016/S1472-7862(03)00063-7, DOI 10.1016/S1472-7862(03)00063-7]
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Diffusion Behavior of Methane in 3D Kerogen Models
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Bin Yu, Kai
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Bowers, Geoffrey M.
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Loganathan, Narasimhan
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Kalinichev, Andrey G.
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Yazaydin, A. Ozgur
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ENERGY & FUELS,
2021, 35 (20)
:16515-16526

Bin Yu, Kai
论文数: 0 引用数: 0
h-index: 0
机构:
UCL, Dept Chem Engn, London WC1E 7JE, England UCL, Dept Chem Engn, London WC1E 7JE, England

Bowers, Geoffrey M.
论文数: 0 引用数: 0
h-index: 0
机构:
St Marys Coll Maryland, Dept Chem & Biochem, St Marys City, MD 20686 USA UCL, Dept Chem Engn, London WC1E 7JE, England

Loganathan, Narasimhan
论文数: 0 引用数: 0
h-index: 0
机构:
Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA UCL, Dept Chem Engn, London WC1E 7JE, England

Kalinichev, Andrey G.
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Nantes, Inst Mines Telecom Atlantique, Lab SUBATECH, CNRS,IN2P3,UMR 6457, F-44307 Nantes, France UCL, Dept Chem Engn, London WC1E 7JE, England

Yazaydin, A. Ozgur
论文数: 0 引用数: 0
h-index: 0
机构:
UCL, Dept Chem Engn, London WC1E 7JE, England UCL, Dept Chem Engn, London WC1E 7JE, England
[7]
Promoting transparency and reproducibility in enhanced molecular simulations
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Bonomi, Massimiliano
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Bussi, Giovanni
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Camilloni, Carlo
;
Tribello, Gareth A.
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Banas, Pavel
;
Barducci, Alessandro
;
Bernetti, Mattia
;
Bolhuis, Peter G.
;
Bottaro, Sandro
;
Branduardi, Davide
;
Capelli, Riccardo
;
Carloni, Paolo
;
Ceriotti, Michele
;
Cesari, Andrea
;
Chen, Haochuan
;
Chen, Wei
;
Colizzi, Francesco
;
De, Sandip
;
De La Pierre, Marco
;
Donadio, Davide
;
Drobot, Viktor
;
Ensing, Bernd
;
Ferguson, Andrew L.
;
Filizola, Marta
;
Fraser, James S.
;
Fu, Haohao
;
Gasparotto, Piero
;
Gervasio, Francesco Luigi
;
Giberti, Federico
;
Gil-Ley, Alejandro
;
Giorgino, Toni
;
Heller, Gabriella T.
;
Hocky, Glen M.
;
Iannuzzi, Marcella
;
Invernizzi, Michele
;
Jelfs, Kim E.
;
Jussupow, Alexander
;
Kirilin, Evgeny
;
Laio, Alessandro
;
Limongelli, Vittorio
;
Lindorff-Larsen, Kresten
;
Lohr, Thomas
;
Marinelli, Fabrizio
;
Martin-Samos, Layla
;
Masetti, Matteo
;
Meyer, Ralf
;
Michaelides, Angelos
;
Molteni, Carla
;
Morishita, Tetsuya
;
Nava, Marco
.
NATURE METHODS,
2019, 16 (08)
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Bonomi, Massimiliano
论文数: 0 引用数: 0
h-index: 0
机构:
Inst Pasteur, Dept Struct Biol & Chem, Paris, France
CNRS, UMR 3528, Paris, France Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Bussi, Giovanni
论文数: 0 引用数: 0
h-index: 0
机构:
Int Sch Adv Studies SISSA, Trieste, Italy Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Camilloni, Carlo
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Milan, Dipartimento Biosci, Milan, Italy Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Tribello, Gareth A.
论文数: 0 引用数: 0
h-index: 0
机构:
Queens Univ Belfast, Atomist Simulat Ctr, Belfast, Antrim, North Ireland Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Banas, Pavel
论文数: 0 引用数: 0
h-index: 0
机构:
Palacky Univ, Fac Sci, Olomouc, Czech Republic Inst Pasteur, Dept Struct Biol & Chem, Paris, France

论文数: 引用数:
h-index:
机构:

Bernetti, Mattia
论文数: 0 引用数: 0
h-index: 0
机构:
Int Sch Adv Studies SISSA, Trieste, Italy Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Bolhuis, Peter G.
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Amsterdam, Vant Hoff Inst Mol Sci, Amsterdam, Netherlands Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Bottaro, Sandro
论文数: 0 引用数: 0
h-index: 0
机构:
Italian Inst Technol, Genoa, Italy Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Branduardi, Davide
论文数: 0 引用数: 0
h-index: 0
机构:
Schrodinger Inc, Cambridge, England Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Capelli, Riccardo
论文数: 0 引用数: 0
h-index: 0
机构:
Forschungszentrum Julich, Computat Biomed IAS 5 INM 9, Julich, Germany Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Carloni, Paolo
论文数: 0 引用数: 0
h-index: 0
机构:
Forschungszentrum Julich, Computat Biomed IAS 5 INM 9, Julich, Germany Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Ceriotti, Michele
论文数: 0 引用数: 0
h-index: 0
机构:
Ecole Polytech Federale Lausanne, Inst Mat, Lausanne, Switzerland
Natl Ctr Computat Design & Discovery Novel Mat MA, Lausanne, Switzerland Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Cesari, Andrea
论文数: 0 引用数: 0
h-index: 0
机构:
Int Sch Adv Studies SISSA, Trieste, Italy Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Chen, Haochuan
论文数: 0 引用数: 0
h-index: 0
机构:
Nankai Univ, Coll Chem, Res Ctr Analyt Sci, Tianjin, Peoples R China Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Chen, Wei
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Illinois, Dept Phys, Urbana, IL USA Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Colizzi, Francesco
论文数: 0 引用数: 0
h-index: 0
机构:
BIST, Inst Res Biomed IRB Barcelona, Barcelona, Spain Inst Pasteur, Dept Struct Biol & Chem, Paris, France

De, Sandip
论文数: 0 引用数: 0
h-index: 0
机构:
Ecole Polytech Federale Lausanne, Inst Mat, Lausanne, Switzerland
Inst Pasteur, Dept Struct Biol & Chem, Paris, France

De La Pierre, Marco
论文数: 0 引用数: 0
h-index: 0
机构:
Pawsey Supercomp Ctr, Kensington, NSW, Australia Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Donadio, Davide
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Calif Davis, Dept Chem, Davis, CA 95616 USA Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Drobot, Viktor
论文数: 0 引用数: 0
h-index: 0
机构:
Lomonosov Moscow State Univ, Dept Chem, Moscow, Russia Inst Pasteur, Dept Struct Biol & Chem, Paris, France

论文数: 引用数:
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机构:

Ferguson, Andrew L.
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Chicago, Pritzker Sch Mol Engn, Chicago, IL 60637 USA Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Filizola, Marta
论文数: 0 引用数: 0
h-index: 0
机构:
Icahn Sch Med Mt Sinai, Dept Pharmacol Sci, New York, NY 10029 USA Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Fraser, James S.
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Calif San Francisco, Dept Bioengn & Therapeut Sci, San Francisco, CA 94143 USA
Univ Calif San Francisco, Calif Inst Quantitat Biol, San Francisco, CA 94143 USA Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Fu, Haohao
论文数: 0 引用数: 0
h-index: 0
机构:
Nankai Univ, Coll Chem, Res Ctr Analyt Sci, Tianjin, Peoples R China Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Gasparotto, Piero
论文数: 0 引用数: 0
h-index: 0
机构:
UCL, Dept Phys & Astron, London, England
Thomas Young Ctr, London, England Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Gervasio, Francesco Luigi
论文数: 0 引用数: 0
h-index: 0
机构:
UCL, Dept Chem, London, England
UCL, Inst Struct & Mol Biol, London, England Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Giberti, Federico
论文数: 0 引用数: 0
h-index: 0
机构:
Ecole Polytech Federale Lausanne, Inst Mat, Lausanne, Switzerland
Natl Ctr Computat Design & Discovery Novel Mat MA, Lausanne, Switzerland Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Gil-Ley, Alejandro
论文数: 0 引用数: 0
h-index: 0
机构:
NHLBI, NIH, Bldg 10, Bethesda, MD 20892 USA Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Giorgino, Toni
论文数: 0 引用数: 0
h-index: 0
机构:
CNR, Biophys Inst, IBF CNR, Milan, Italy Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Heller, Gabriella T.
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Cambridge, Dept Chem, Cambridge, England Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Hocky, Glen M.
论文数: 0 引用数: 0
h-index: 0
机构:
NYU, Dept Chem, New York, NY USA Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Iannuzzi, Marcella
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Zurich, Dept Chem, Zurich, Switzerland Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Invernizzi, Michele
论文数: 0 引用数: 0
h-index: 0
机构:
Swiss Fed Inst Technol, Dept Phys, Lugano, Switzerland
Univ Svizzera Italiana, Fac Informat, Lugano, Switzerland Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Jelfs, Kim E.
论文数: 0 引用数: 0
h-index: 0
机构:
Imperial Coll London, Dept Chem, London, England Inst Pasteur, Dept Struct Biol & Chem, Paris, France

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Laio, Alessandro
论文数: 0 引用数: 0
h-index: 0
机构:
Int Sch Adv Studies SISSA, Trieste, Italy
Abdus Salaam Int Ctr Theoret Phys, Trieste, Italy Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Limongelli, Vittorio
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Svizzera Italiana, Inst Computat Sci, Fac Biomed Sci, Lugano, Switzerland
Univ Naples Federico II, Dept Pharm, Naples, Italy Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Lindorff-Larsen, Kresten
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Copenhagen, Dept Biol, Copenhagen, Denmark Inst Pasteur, Dept Struct Biol & Chem, Paris, France

论文数: 引用数:
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机构:

Marinelli, Fabrizio
论文数: 0 引用数: 0
h-index: 0
机构:
NHLBI, NIH, Bldg 10, Bethesda, MD 20892 USA Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Martin-Samos, Layla
论文数: 0 引用数: 0
h-index: 0
机构:
Ist Off Mat, CNR IOM Democritos Natl Simulat Ctr, Trieste, Italy Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Masetti, Matteo
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Bologna, Alma Mater Studiorum, Dept Pharm & Biotechnol, Bologna, Italy Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Meyer, Ralf
论文数: 0 引用数: 0
h-index: 0
机构:
Graz Univ Technol, Inst Expt Phys, Graz, Austria Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Michaelides, Angelos
论文数: 0 引用数: 0
h-index: 0
机构:
UCL, Dept Phys & Astron, London, England
Thomas Young Ctr, London, England
Univ Bologna, Alma Mater Studiorum, Dept Pharm & Biotechnol, Bologna, Italy Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Molteni, Carla
论文数: 0 引用数: 0
h-index: 0
机构:
Kings Coll London, Dept Phys, London, England Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Morishita, Tetsuya
论文数: 0 引用数: 0
h-index: 0
机构:
Inst Pasteur, Dept Struct Biol & Chem, Paris, France

Nava, Marco
论文数: 0 引用数: 0
h-index: 0
机构:
Inst Pasteur, Dept Struct Biol & Chem, Paris, France
[8]
Bui M, 2018, ENERG ENVIRON SCI, V11, P1062, DOI [10.1039/C7EE02342A, 10.1039/c7ee02342a]
[9]
Gas transport in shale matrix coupling multilayer adsorption and pore confinement effect
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Chai, Di
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Yang, Gang
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Fan, Zhaoqi
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Li, Xiaoli
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CHEMICAL ENGINEERING JOURNAL,
2019, 370
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Chai, Di
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Kansas, Chem & Petr Engn, Lawrence, KS 66045 USA Univ Kansas, Chem & Petr Engn, Lawrence, KS 66045 USA

Yang, Gang
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Kansas, Chem & Petr Engn, Lawrence, KS 66045 USA Univ Kansas, Chem & Petr Engn, Lawrence, KS 66045 USA

Fan, Zhaoqi
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Kansas, Chem & Petr Engn, Lawrence, KS 66045 USA Univ Kansas, Chem & Petr Engn, Lawrence, KS 66045 USA

Li, Xiaoli
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Kansas, Chem & Petr Engn, Lawrence, KS 66045 USA Univ Kansas, Chem & Petr Engn, Lawrence, KS 66045 USA
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High-pressure adsorption of gases on shales: Measurements and modeling
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Chareonsuppanimit, Pongtorn
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Mohammad, Sayeed A.
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Robinson, Robert L., Jr.
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Gasem, Khaled A. M.
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INTERNATIONAL JOURNAL OF COAL GEOLOGY,
2012, 95
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Chareonsuppanimit, Pongtorn
论文数: 0 引用数: 0
h-index: 0
机构:
Oklahoma State Univ, Sch Chem Engn, Stillwater, OK 74078 USA Oklahoma State Univ, Sch Chem Engn, Stillwater, OK 74078 USA

Mohammad, Sayeed A.
论文数: 0 引用数: 0
h-index: 0
机构:
Oklahoma State Univ, Sch Chem Engn, Stillwater, OK 74078 USA Oklahoma State Univ, Sch Chem Engn, Stillwater, OK 74078 USA

Robinson, Robert L., Jr.
论文数: 0 引用数: 0
h-index: 0
机构:
Oklahoma State Univ, Sch Chem Engn, Stillwater, OK 74078 USA Oklahoma State Univ, Sch Chem Engn, Stillwater, OK 74078 USA

Gasem, Khaled A. M.
论文数: 0 引用数: 0
h-index: 0
机构:
Oklahoma State Univ, Sch Chem Engn, Stillwater, OK 74078 USA Oklahoma State Univ, Sch Chem Engn, Stillwater, OK 74078 USA