Results 251 to 260 of about 11,576,305 (269)

Design and Optimization of Catalysts Based on Mechanistic Insights Derived From Quantum Chemical Reaction Modeling

Chemical Reviews, 2019
Daniel H Ess, Mahesh Sundararajan, Mannkyu Hong   +2 more
exaly  

Quantum Chemical Perspective of Coal Molecular Modeling: A Review

Fuel, 2020
Kaushik Sen
exaly  

Degradation of Di(2-Ethyl Hexyl) Phthalate by Fusarium culmorum: Kinetics, Enzymatic Activities and Biodegradation Pathway Based on Quantum Chemical Modelingpathway Based on Quantum Chemical Modeling

Science of the Total Environment, 2016
Miriam Ahuactzin-Pérez, María C Gutiérrez-Ruiz, Carmen Sánchez   +2 more
exaly  

Quantum Chemical Calculations and Molecular Modeling for Methylene Blue Removal From Water by a Lignin-Chitosan Blend

International Journal of Biological Macromolecules, 2018
Ahmad B Albadarin, Saeed Shirazian, Mashallah Rezakazemi   +2 more
exaly  

Modeling of Quantum Noise and the Quality of Hardware Components of Quantum Computers

Proceedings of SPIE, 2013
Yurii Bogdanov, Vladimir Lukichev
exaly  

Demonstration of a Small Programmable Quantum Computer With Atomic Qubits

Nature, 2016
Norbert M Linke, Kevin A Landsman, Caroline Figgatt   +2 more
exaly  

Modeling Metal Binding Sites in Proteins by Quantum Chemical Calculations

Computational Chemistry, 2014
Todor Dudev
exaly  

Computational Exploration of <i>Vitis vinifera</i>-Derived Molecules as SARS-CoV-2 Main Protease Inhibitors: A Quantum Chemical and Molecular Modeling Approach

American Journal of BioScience, 2023
openaire   +1 more source

A Computer Data Base for Information on Cancer Treatment

Ca-A Cancer Journal for Clinicians, 1987
Vincent T Devita
exaly  

Glyphosate Binding in Soil as Revealed by Sorption Experiments and Quantum-Chemical Modeling

Science of the Total Environment, 2017
Oliver Kühn, Ashour A Ahmed, Peter Gros
exaly