Results 271 to 280 of about 12,411,912 (281)

Unveiling the High Regioselectivity and Stereoselectivity Within the Synthesis of Spirooxindolenitropyrrolidine: A Molecular Electron Density Theory Perspective

Journal of Physical Organic Chemistry, 2021
Nivedita Acharjee, Haydar A Mohammad-Salim, Madhu Ganesh   +2 more
exaly  

The Current State of Molecular Testing in the Treatment of Patients With Solid Tumors, 2019

Ca-A Cancer Journal for Clinicians, 2019
Edward S Kim, John Marshall, Jubilee Brown   +2 more
exaly  

Molecular Electron Density Theory Study of Fused Regioselectivity in the Intramolecular [3+2] Cycloaddition Reaction of Cyclic Nitrones

ChemistrySelect, 2018
Abel Idrice Adjieufack, Mar Ríos-Gutiérrez, Luis R. Domingo   +2 more
exaly  

Understanding the Mechanism of Nitrobenzene Nitration With Nitronium Ion: A Molecular Electron Density Theory Study

ChemistrySelect, 2019
Mar Ríos-Gutiérrez, Luis R. Domingo, Mbah Bake Maraf   +2 more
exaly  

An Efficient Nonequilibrium Green’s Function Formalism Combined With Density Functional Theory Approach for Calculating Electron Transport Properties of Molecular Devices With Quasi-One-Dimensional Electrodes

Journal of Chemical Physics, 2007
Stefano Sanvito, Shimin Hou, Zekan Qian
exaly  

Molecular Cancer Prevention: Current Status and Future Directions

Ca-A Cancer Journal for Clinicians, 2015
Kenneth Y. Tsai, Powel H Brown
exaly  

The Carbenoid-Type Reactivity of Simplest Nitrile Imine From a Molecular Electron Density Theory Perspective

Tetrahedron, 2019
Mar Ríos-Gutiérrez, Luis R. Domingo
exaly  

Aziridination of Aromatic Aldimines Through Stabilized Ammonium Ylides: A Molecular Electron Density Theory Study

European Journal of Organic Chemistry, 2019
Saeedreza Emamian, Mar Ríos-Gutiérrez, Seyed Javad Hosseini   +2 more
exaly  

The Performance of Time-Dependent Density Functional Theory in the Simulation of the Electronic Spectra of Molecular Uranium Complexes

2006
Ingram, Kieran IM, Kaltsoyannis, Nikolas
openaire   +2 more sources

Electron Correlation in Molecular Density Functional Theory

1999
openaire   +1 more source