Mechanistic DFT studies – helicate-type complexes with different alcylic spacers

Mechanistic DFT studies – helicate-type complexes with different alcylic spacers

Bibliographic Details
Main Authors:	Gossen Verena, Raabe Gerhard, Albrecht Markus
Format:	Article
Language:	English
Published:	BMC 2012-05-01
Series:	Journal of Cheminformatics

Similar Items

Synthesis of new 3'-N-alcyl and 3'-N-alkyl 3'-amino-3'-deoxythymidine derivatives
by: K. V. Seregin, et al.
Published: (2006-02-01)

Mechanistic Investigation on Hydrocyanation of Butadiene: A DFT Study
by: Kaikai Liu, et al.
Published: (2020-07-01)

Antioxidative activity of caffeic acid: Mechanistic DFT study
by: Redžepović Izudin, et al.
Published: (2017-01-01)

Mechanistic and structural studies of the helical arch of flap endonuclease
by: Patel, Nikesh
Published: (2012)

Application of DFT Methods on the Mechanistic Studies of Selected Organometallic Reactions
by: Chia-Ming Weng, et al.
Published: (2012)

DETERMINISTIC MODEL FOR THERMALHYDRAULICS ANALYSIS OF FLOW IN ROD BUNDLES WITH HELICAL WIRE WRAP SPACERS
by: ELOI FERNANDEZ Y FERNANDEZ
Published: (1984)

Acylation Reactions of Dibenzo‐7‐phosphanorbornadiene: DFT Mechanistic Insights
by: Dr. Zheng‐Wang Qu, et al.
Published: (2019-06-01)

Mechanistic Insights into Selective Hydrogenation of C=C Bonds Catalyzed by CCC Cobalt Pincer Complexes: A DFT Study
by: Zheng Zuo, et al.
Published: (2021-01-01)

DFT mechanistic study of the selective terminal C–H activation of n-pentane with a tungsten allyl nitrosyl complex
by: Richmond Lee, et al.
Published: (2017-07-01)

[en] DETERMINISTIC MODEL FOR THERMALHYDRAULICS ANALYSIS OF FLOW IN ROD BUNDLES WITH HELICAL WIRE WRAP SPACERS
by: ELOI FERNANDEZ Y FERNANDEZ
Published: (2011)

Spacer-Controlled Supramolecular Assemblies of Cu(II) with Bis(2-Hydroxyphenylimine) Ligands. from Monoligand Complexes to Double-Stranded Helicates and Metallomacrocycles
by: Norman Kelly, et al.
Published: (2016-09-01)

Exploring Colorimetric Real-Time Sensing Behavior of a Newly Designed CT Complex toward Nitrobenzene and Co2+: Spectrophotometric, DFT/TD-DFT, and Mechanistic Insights
by: Ishaat M. Khan, et al.
Published: (2019-06-01)

Casposase structure and the mechanistic link between DNA transposition and spacer acquisition by CRISPR-Cas
by: Alison B Hickman, et al.
Published: (2020-01-01)

Acid‐Catalyzed Rearrangements of 3‐Aryloxirane‐2‐Carboxamides: Novel DFT Mechanistic Insights
by: Dr. Zheng‐Wang Qu, et al.
Published: (2020-07-01)

EXPERIMENTAL STUDY OF THE STATIC PRESSURE AND THE WALL SHEAR STRESS DISTRIBUTIONS IN A SEVEN-ROD BUNDLE WITH HELICAL WIRE WRAP SPACERS
by: ELOI FERNANDEZ Y FERNANDEZ
Published: (1978)

Mechanistic study of methanol oxidation reaction (MOR) on Pt, Pd and their alloys by Density Functional Theory (DFT)
by: Lin, Yu-Wei, et al.
Published: (2017)

DFT STUDY ON THE MECHANISTIC, ENERGETIC AND STRUCTURAL ASPECTS OF ADSORPTION OF TIRAPAZAMINE ONTO PRISTINE AND FUNCTIONALIZED CARBON NANOTUBES
by: Sadaf Avarand, et al.

Helical Antenna sensor for Different Liquid Type Identification
by: Ikhmis Waleed Majdi Issa, et al.
Published: (2017-01-01)

[en] EXPERIMENTAL STUDY OF THE STATIC PRESSURE AND THE WALL SHEAR STRESS DISTRIBUTIONS IN A SEVEN-ROD BUNDLE WITH HELICAL WIRE WRAP SPACERS
by: ELOI FERNANDEZ Y FERNANDEZ
Published: (2011)

Mechanistic Study of Copper-Catalyzed C-H Hydroxylation/C-S Coupling by ESI-HR MS and DFT Calculations
by: Runsheng Xu, et al.
Published: (2017-11-01)

Adsorption of amino acids on MFI-type zeolite: DFT calculations and experimental results
by: Stueckenschneider Kai, et al.
Published: (2012-05-01)

DFT Studies on Cobalt- and Palladium Complexes Catalyzed Reactions
by: Yi-Luen Huang, et al.
Published: (2006)

Key Mechanistic Features in Palladium-Catalyzed Methylcyclopropanation of Norbornenes With Vinyl Bromides: Insights From DFT Calculations
by: Fang Ying, et al.
Published: (2019-03-01)

Membrane Association Modes of Natural Anticancer Peptides: Mechanistic Details on Helicity, Orientation, and Surface Coverage
by: Mayra Quemé-Peña, et al.
Published: (2021-08-01)

Studies on Synthesis and Structure of Helical Syndiotactic Poly(methyl methacrylate) Complex with Macromolecular Helicity Memory
by: 北浦, 敦志, et al.
Published: (2011)

DFT+U Study of Mechanistic of EthaneDehydrogenation on Molybdenum trioxide, Mo-V and Mo-V-W mixing catalysts
by: Zhan, Yao-Shun, et al.
Published: (2016)

The Molecular Mechanism of the Formation of Four-Membered Cyclic Nitronates and Their Retro (3 + 2) Cycloaddition: A DFT Mechanistic Study
by: Agnieszka Kącka-Zych
Published: (2021-08-01)

Computer-aided studies of molecular structure-comparison of measured and computed ECD spectra
by: Moha Richard, et al.
Published: (2012-05-01)

Performance of two different types of inhalers. Influence of flow and spacer on emitted dose and aerodynamic characterisation.
by: Almeziny, Mohammed A.N.
Published: (2010)

DFT Investigations of the Magnetic Properties of Actinide Complexes
by: Lotfi Belkhiri, et al.
Published: (2019-02-01)

Sythesis, Reactivities and DFT Calculations of Ruthenium Complexes
by: Guan-Jie Hung, et al.
Published: (2014)

Synthetic and mechanistic studies on organoruthenium complexes
by: Stephenson, M.
Published: (1981)

Mechanistic Studies of Complexation Reactions of Iron
by: Hashmi, I. H.
Published: (1977)

Mechanistic studies of cobalt III complexes
by: Jackson, H. M.
Published: (1971)

The supramolecular chemistry of helical metal complexes
by: Horn, Caitlin Janet
Published: (2004)

Effect of mortar spacers of different grades on the performance of concrete
by: Mohamoud, Mohamed Ali
Published: (2017)

Reactivity and Stability of Metalloporphyrin Complex Formation: DFT and Experimental Study
by: Rimadani Pratiwi, et al.
Published: (2020-09-01)

Crystal structure and DFT study of a zinc xanthate complex
by: Adnan M. Qadir, et al.
Published: (2019-11-01)

DFT study on metal-mediated uracil base pair complexes
by: Ayhan Üngördü, et al.
Published: (2017-11-01)

Oâ‚‚ activation by transition metal complexes : a DFT study
by: Howe, Peter
Published: (2003)