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Linear Programming
Single to Multiple Site Behavior of Metallocenes through C–H Activation for Olefin Polymerization: A Mechanistic Insight from DFT by Jugal Kumawat & Virendra Kumar Gupta
pdf | | 0101-01-01 | Author:Jugal Kumawat & Virendra Kumar Gupta

( Category: Linear Programming July 25,2024 )
Catalytic Conversion of CO2 to Formate with Renewable Hydrogen Donors: An Ambient-Pressure and H2-Independent Strategy by Abhishek Kumar Shrivats Semwal & Joyanta Choudhury
pdf | | 0101-01-01 | Author:Abhishek Kumar, Shrivats Semwal & Joyanta Choudhury

( Category: Linear Programming July 25,2024 )
Understanding the Impact of Different Types of Surface States on Photoelectrochemical Water Oxidation: A Microkinetic Modeling Approach by Kiran George Tigran Khachatrjan Matthijs van Berkel Vivek Sinha & Anja Bieberle-Hütter
pdf | | 0101-01-01 | Author:Kiran George, Tigran Khachatrjan, Matthijs van Berkel, Vivek Sinha & Anja Bieberle-Hütter

( Category: Linear Programming July 25,2024 )
Different Oxidative Addition Mechanisms for 12- and 14-Electron Palladium(0) Explain Ligand-Controlled Divergent Site Selectivity by Jacob P. Norman Nathaniel G. Larson & Sharon R. Neufeldt
pdf | | 0101-01-01 | Author:Jacob P. Norman, Nathaniel G. Larson & Sharon R. Neufeldt

( Category: Linear Programming July 25,2024 )
Comprehensive Density Functional and Kinetic Monte Carlo Study of CO2 Hydrogenation on a Well-Defined NiCeO2 Model Catalyst: Role of Eley–Rideal Reactions by Pablo Lozano-Reis Pablo Gamallo Ramón Sayós & Francesc Illas
pdf | | 0101-01-01 | Author:Pablo Lozano-Reis, Pablo Gamallo, Ramón Sayós & Francesc Illas

( Category: Linear Programming July 25,2024 )
Descriptor Design in the Computational Screening of Ni-Based Catalysts with Balanced Activity and Stability for Dry Reforming of Methane Reaction by Shuyue Chen Jeremie Zaffran & Bo Yang
pdf | | 0101-01-01 | Author:Shuyue Chen, Jeremie Zaffran & Bo Yang

( Category: Linear Programming July 24,2024 )
Apparent Activation Energy in Electrochemical Multistep Reactions: A Description via Sensitivities and Degrees of Rate Control by Alfredo Calderón-Cárdenas Enrique A. Paredes-Salazar & Hamilton Varela
pdf | | 0101-01-01 | Author:Alfredo Calderón-Cárdenas, Enrique A. Paredes-Salazar & Hamilton Varela

( Category: Linear Programming July 24,2024 )
Mechanistic Insights into CO2 Electroreduction on Ni2P: Understanding Its Selectivity toward Multicarbon Products by Sayan Banerjee Arvin Kakekhani Robert B. Wexler & Andrew M. Rappe
pdf | | 0101-01-01 | Author:Sayan Banerjee, Arvin Kakekhani, Robert B. Wexler & Andrew M. Rappe

( Category: Linear Programming July 24,2024 )
Practical Machine Learning-Assisted Design Protocol for Protein Engineering: Transaminase Engineering for the Conversion of Bulky Substrates by Marian J. Menke Yu-Fei Ao & Uwe T. Bornscheuer
pdf | | 0101-01-01 | Author:Marian J. Menke, Yu-Fei Ao & Uwe T. Bornscheuer

( Category: Linear Programming July 24,2024 )
Size-Dependent Adsorption and Adhesion Energetics of Ag Nanoparticles on Graphene Films on Ni(111) by Calorimetry by John R. Rumptz Zhongtian Mao & Charles T. Campbell
pdf | | 0101-01-01 | Author:John R. Rumptz, Zhongtian Mao & Charles T. Campbell

( Category: Linear Programming July 24,2024 )
Active Site Representation in First-Principles Microkinetic Models: Data-Enhanced Computational Screening for Improved Methanation Catalysts by Martin Deimel Karsten Reuter & Mie Andersen
pdf | | 0101-01-01 | Author:Martin Deimel, Karsten Reuter & Mie Andersen

( Category: Linear Programming July 24,2024 )
Automated Mechanism Generation Using Linear Scaling Relationships and Sensitivity Analyses Applied to Catalytic Partial Oxidation of Methane by Emily J. Mazeau Priyanka Satpute Katrín Blöndal C. Franklin Goldsmith & Richard H. West
pdf | | 0101-01-01 | Author:Emily J. Mazeau, Priyanka Satpute, Katrín Blöndal, C. Franklin Goldsmith & Richard H. West

( Category: Linear Programming July 24,2024 )
Hydrogen Evolution on Restructured B-Rich WB: Metastable Surface States and Isolated Active Sites by Zisheng Zhang Zhi-Hao Cui Elisa Jimenez-Izal Philippe Sautet & Anastassia N. Alexandrova
pdf | | 0101-01-01 | Author:Zisheng Zhang, Zhi-Hao Cui, Elisa Jimenez-Izal, Philippe Sautet & Anastassia N. Alexandrova

( Category: Linear Programming July 24,2024 )
Dinuclear PdI Catalysts in Equilibrium Isomerizations: Mechanistic Understanding, in Silico Casting, and Catalyst Development by Sriman De Nardana Sivendran Bholanath Maity Nico Pirkl Debasis Koley & Lukas J. Gooßen
pdf | | 0101-01-01 | Author:Sriman De, Nardana Sivendran, Bholanath Maity, Nico Pirkl, Debasis Koley & Lukas J. Gooßen

( Category: Linear Programming July 24,2024 )
Optimization and parameters estimation in petroleum engineering problems using ant colony algorithm by Seyedehfatemeh Razavi
pdf | | | Author:Seyedehfatemeh Razavi

( Category: Linear Programming April 19,2024 )

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