Results 291 to 300 of about 13,478,919 (312)

A new method for computing DFT

ICASSP '77. IEEE International Conference on Acoustics, Speech, and Signal Processing, 2005
openaire   +1 more source

DFT and TD-DFT Studies for Optoelectronic Properties of Coumarin Based Donor-π-Acceptor (D-π-A) Dyes: Applications in Dye-Sensitized Solar Cells (DSSCS)

Heliyon, 2021
Said Ali Hamad Vuai, Numbury Surendra Babu   +1 more
exaly  

Consecutive DFT Method for Instantaneous Oscillating Phasor Measurement

IEEE Transactions on Power Systems, 2013
Rengang Yang
exaly  

Emerging DFT Methods and Their Importance for Challenging Molecular Systems With Orbital Degeneracy

Computation, 2019
Emilio San-Fabián, Juan Carlos Sancho-García   +1 more
exaly  

Assessment of New DFT Methods for Predicting Vibrational Spectra and Structure of Cisplatin: Which Density Functional Should We Choose for Studying Platinum(II) Complexes?

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2014
Magdalena Malik-Gajewska, Danuta Michalska   +1 more
exaly  

Beyond DFT Methods

Shivani Bhardwaj, Sudhir K. Pandey
openaire   +1 more source

Quantifying the Performance of Conventional DFT Methods on a Class of Difficult Problems: The Interaction (Hyper)Polarizability of Two Water Molecules as a Test Case

International Journal of Quantum Chemistry, 2012
George Maroulis
exaly  

Comparison Chosen DFT Methods With Six Basis Sets on Harmine Molecule

Journal of the Korean Chemical Society, 2013
Emran Heshmati
exaly  

Adsorption Characteristic of Rh-Doped MoSe2 Monolayer Towards H2 and C2H2 for DGA in Transformer Oil Based on DFT Method

Applied Surface Science, 2019
Yongze Zhang, Hao Cui
exaly  

A Novel FSK Demodulation Method Using Short-Time DFT Analysis for LEO Satellite Communication Systems

IEEE Transactions on Vehicular Technology, 1997
N Morinaga
exaly