Paving the road towards automated homogeneous catalyst design
ChemPlusChem, Volume 89, Issue 7, July 2024.Computational tools have become integral to catalyst design, providing crucial support for experimental synthesis. This Perspective explores diverse initiatives in computational catalyst design, emphasizing the rise of data‐driven methods and machine learning.
Adarsh V. Kalikadien +4 more
wiley +1 more source
El efecto de los aceites de oleaginosas en rumen en el sistema de fermentación in vitro [PDF]
, 2015 Los subproductos de plantas oleaginosas han sido utilizadas para mejorar el desempeño productivo en ruminates ya sea por la alta energía que proporciona o por su composición proteica, sin embargo, pocos artículos reportan la cantidad que debe ...
Liu, Yong, Liu, Yong
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Nonrelativistic limit of the abelianized ABJM model and the ADS/CMT correspondence [PDF]
, 2015 We consider the nonrelativistic limit of the abelian reduction of the massive ABJM model proposed in \cite{Mohammed:2012gi}, obtaining a supersymmetric version of the Jackiw-Pi model.
Lopez-Arcos, Cristhiam +2 more
core +3 more sources
Environmental Toxicology and Chemistry, Volume 43, Issue 5, Page 1161-1172, May 2024.Abstract Hydraulic fracturing (HF) is commonly used to enhance onshore recovery of oil and gas during production. This process involves the use of a variety of chemicals to support the physical extraction of oil and gas, maintain appropriate conditions downhole (e.g., redox conditions, pH), and limit microbial growth. The diversity of chemicals used in
Kathleen S. Boone +4 more
wiley +1 more source
Exchange rate misalignment and its effects on agricultural producer support estimates [PDF]
"There have been different degrees of exchange rate disequilibrium in the developing countries during transition or reform periods since the mid 1980s.
Cheng, Fuzhi, Orden, David
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Two Shoot-Miners, Ceutorhynchus alliariae and Ceutorhynchus roberti, Sharing the Same Fundamental Niche on Garlic Mustard [PDF]
, 2017 A combination of observational and experimental methods, in both the laboratory and field, were used to assess niche partitioning between Ceutorhynchus alliariae Brisout and C.
Bacher, Sven +3 more
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Regularisation of Chiral Gauge Theories [PDF]
, 1999 This article gives a review of the topic of regularising chiral gauge theories and is aimed at a general audience. It begins by clarifying the meaning of chirality and goes on to discussing chiral projections in field theory, parity violation and the ...
N. D. HARI DASS, Smit J.
core +3 more sources
Examining the PM6 semiempirical method for pKa prediction across a wide range of oxyacids [PDF]
, 2009 The pK~a~ estimation ability of the semiempirical PM6 method was evaluated across a broad range of oxyacids and compared to results obtained using the SPARC software program.
Kaya Forest +2 more
core +1 more source
Mechanistic Studies Lead to Dramatically Improved Reaction Conditions for the Cu-Catalyzed Asymmetric Hydroamination of Olefins [PDF]
, 2015 Enantioselective copper(I) hydride (CuH)-catalyzed hydroamination has undergone significant development over the past several years. To gain a general understanding of the factors governing these reactions, kinetic and spectroscopic studies were ...
Bandar, Jeffrey +2 more
core +3 more sources
Thermodynamics of Np(IV) complexes with gluconic acid under alkaline conditions: sorption studies [PDF]
, 2017 The complexation of Np(IV) with gluconic acid (GLU) under alkaline conditions was investigated in the absence of Ca by carrying out aseries of sorption experiments.
Gaona, Xavier +5 more
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