has provided commercial, academic and government scientists worldwide with high-quality quantum chemistry software, allowing them to solve computational problems quickly and accurately. Our open-teamware approach allows research groups from all across the globe to contribute their code to Q-Chem. Recent...
However, accurately refining bio-macromolecules using a quantum chemical method is challenging due to issues related to scaling. Quantum chemistry has proven to be very useful for studying bio-macromolecules by employing a divide and conquer type approach. We have developed a new fragmentation approach...
- 《Bioorganic & Medicinal Chemistry Letters》 被引量: 24发表: 2011年 ChemInform Abstract: Synthesis of α-Chiral-β,γ-Unsaturated Carboxylic Acid Derivatives Using Chiral Auxiliaries. (R)-benzyl-oxazolidinone and (S,S)-pseudoephedrine are employed as chiral auxiliaries for the diastereoselective ...
From:Bioorganic & Medicinal Chemistry Letters,2019 Add to Mendeley Discover other topics Chapters and Articles You might find these chapters and articles relevant to this topic. Experimental Therapeutics for Friedreich's Ataxia ROBERT B.WILSON, inGenetic Instabilities and Neurological Diseases (Second Edit...
Zhilin Yang, William W. Cohen, Ruslan Salakhutdinov ICML 2016 Semi-Supervised Classification with Graph Convolutional Networks Thomas N. Kipf, Max Welling ICLR 2017 Neural Message Passing for Quantum Chemistry Justin Gilmer, Samuel S. Schoenholz, Patrick F. Riley, Oriol Vinyals, George E. Dahl...
- 《Journal of Organometallic Chemistry》 被引量: 1发表: 1998年 E. M. Stern: The Toledo Museum of Art; Roman Mold-Blown Glass; the First through the Sixth Centuries. Pp. 388, 105 figs (comprising 89 B & W plates, 4 char... *** TB Veronica - 《Classical Review》 被引量: 0...
A molecular-scale understanding of the kinetics and reactions of metal adsorption at the mineral surface is critical not only to geochemical processes but also to colloid chemistry, corrosion science, materials science and in the preparation/manufacture of heterogeneous catalysts9–12. Newly formed ...
Journal of Biological Chemistry, Volume 299, Issue 3, 2023, Article 102965 Zhen Li,…, Jean X. Jiang View PDF Genomic stability during cellular reprogramming: Mission impossible? Mutation Research/Fundamental and Molecular Mechanisms of Mutagenesis, Volume 788, 2016, pp. 12-16 Mathieu von Joest,...
OV Zalomaeva,OA Kholdeeva,AB Sorokin - 《Green Chemistry》 被引量: 24发表: 2006年 Synthesis of tmbq with transition metal beinhaltendem molecular sieve as a catalyst A method for the oxidation of trimethylphenol (tmp) to trim ethyl benzo quinone (tmbq), said method comprising the steps of...
- 《Inorganic Chemistry》 被引量: 81发表: 2000年 Health-Related Quality of Life after Ischemic Stroke: The Impact of Pharmaceutical Interventions on Drug Therapy (Pharmaceutical Care Concept) p pBackground/p pHealth-related quality of life (HRQoL) after stroke is an important healthcare measure....