Results 271 to 280 of about 24,900 (287)

THE OPTIMAL METHOD FOR CALCULATION OF QUANTUM CHEMICAL MOLECULAR DESCRIPTORS IN MOLECULE - ION PAIRS

Chemistry and Technology of Organic Substances, 2019
Igor Vladimirovich Pyzhianov, Victor Alexeevich Petrunin, Vladimir Borisovich Kondratiev   +2 more
openaire   +1 more source

Reactivity Descriptors for the Activity of Molecular MN4 Catalysts for the Oxygen Reduction Reaction

Angewandte Chemie - International Edition, 2016
José H Zagal, José H Zagal, Marc T M Koper   +2 more
exaly  

Hierarchies of quantum chemical descriptors induced by statistical analyses of domain occupation number operators

Wiley Interdisciplinary Reviews: Computational Molecular Science, 2020
Guillaume Acke, Stijn De Baerdemacker, Angel Martín Pendás   +2 more
exaly  

Theory-guided design of catalytic materials using scaling relationships and reactivity descriptors

Nature Reviews Materials, 2019
Zhi-Jian Zhao, Sihang Liu, Shenjun Zha
exaly  

The Lethal Phenotype of Cancer: The Molecular Basis of Death Due to Malignancy

Ca-A Cancer Journal for Clinicians, 2007
Arul M Chinnaiyan, Kenneth J Pienta, Brent K Hollenbeck   +2 more
exaly  

Quantum control of molecular rotation

Reviews of Modern Physics, 2019
Christiane Koch, Mikhail Lemeshko, Dominique Sugny   +2 more
exaly  

Molecular magnetism: from chemical design to spin control in molecules, materials and devices

Nature Reviews Materials, 2019
Eugenio Coronado
exaly  

Overview of pattern recognition, molecular descriptors, quantum mechanics, and representation methods

Syed Waqas Ali Shah, Muhammad Ishfaq
openaire   +1 more source

Application of quantum topological molecular similarity descriptors in QSPR study of the O-methylation of substituted phenols

Journal of Computational Chemistry, 2008
Bahram Hemmateenejad, Afshan Mohajeri
exaly  

Beyond fluorodeoxyglucose: Molecular imaging of cancer in precision medicine

Ca-A Cancer Journal for Clinicians
Malik E Juweid, Soud Al-qasem, Fadlo R Khuri   +2 more
exaly