Results 161 to 170 of about 297,991 (240)

Supramolecular Structure of Sulfonamide-Substituted Silatranes: Quantum Chemical DFT Calculations. [PDF]

Int J Mol Sci
Chipanina NN, Adamovich SN, Nalibayeva AM, Abdikalykov YN, Oznobikhina LP, Oborina EN, Rozentsveig IB.   +6 more
europepmc   +1 more source

<b>NMR SPECTROSCOPIC STUDY AND DFT CALCULATIONS OF VIBRATIONAL ANALYSES, GIAO NMR SHIELDINGS AND ¹J_CH, ¹J_CC SPIN-SPIN COUPLING CONSTANTS OF 1,7-DIAMINOHEPTANE</b>

, 2009
Özgür Alver, Cemal Parlak, Mustafa Şenyel   +2 more
openalex   +2 more sources

Evidence for Methylaluminoxane (MAO) Molecular Structure and Reactivity from Ultrahigh Magnetic Field ²⁷Al MAS NMR Spectroscopy Combined with DFT Calculations. [PDF]

Angew Chem Int Ed Engl
Szeto K, Taoufik M, Fayon F, Gajan D, Zurek E, Autschbach J, Trébosc J, Delevoye L, Gauvin RM.   +8 more
europepmc   +1 more source

Novel colored hydroxypropyl methyl cellulose/ magnetite carbon dots films for beef packaging with DFT calculations and molecular docking study. [PDF]

Sci Rep
Tohamy HS.
europepmc   +1 more source

Chemical Orderings in CuCo Nanoparticles: Topological Modeling Using DFT Calculations. [PDF]

Nanomaterials (Basel)
Neyman KM, Alemany P.
europepmc   +1 more source

Noncovalent dyads of lanthanide nitride cluster fullerenes Ln₃N@C₈₀ and bisphthalocyanines LnPc₂: Insights from DFT calculations. [PDF]

J Mol Model
Bolivar-Pineda LM, Basiuk EV, Basiuk VA.
europepmc   +1 more source

The Impact of Carbon on Electronic Structure of N-Doped ZnO Films: Scanning Photoelectron Microscopy Study and DFT Calculations. [PDF]

Nanomaterials (Basel)
Guziewicz E, Mishra S, Amati M, Gregoratti L, Volnianska O.   +4 more
europepmc   +1 more source

A Study of the Structure of an Anion Exchange Resin with a Quaternary Ammonium Functional Group by Using Infrared Spectroscopy and DFT Calculations. [PDF]

Materials (Basel)
Chruszcz-Lipska K, Szostak E.
europepmc   +1 more source