Results 111 to 120 of about 297,991 (240)

Methyl 3-Methyl-2H-azirine-2-carboxylate Photochemistry Studied by Matrix-isolation FTIR and DFT Calculations [PDF]

, 2006
Agnieszka Kaczor, Andrea Gómez‐Zavaglia, Ana L. Cardoso, Teresa M. V. D. Pinho e Melo, Rui Fausto   +4 more
openalex   +1 more source

DFT Calculations of Photoabsorption Spectra in the VUV Region for Design of Photoresist Materials for 157 nm Lithography.

, 2002
Shinji Ando, Tsuyohiko Fujigaya, Mitsuru Ueda   +2 more
openalex   +2 more sources

Spin-Spin Coupling Constants ¹J(¹⁵N,¹¹B) in Boron-Nitrogen Compounds. Experimental Data and DFT Calculations [PDF]

, 2007
Bernd Wrackmeyer, Oleg L. Tok
openalex   +1 more source

Spectral Calculations with DFT

, 2018
Ataf Ali Altaf, Amin Badshah, Samia Kausar   +2 more
openaire   +4 more sources

DFT Calculations of Photoabsorption Spectra for Alicyclic and Heterocyclic Compounds in the VUV Region

, 2003
Shinji Ando, Mitsuru Ueda
openalex   +2 more sources

The conductance of molecular wires and DFT based transport calculations

, 2003
Ferdinand Evers, Florian Weigend, Max Koentopp   +2 more
openalex   +2 more sources

DFT Calculations on Metal-Nucleobase Complexes [PDF]

, 2009
openaire   +3 more sources

Hybrid DFT calculations of theFcenters in cubic ABO₃perovskites [PDF]

, 2008
E. A. Kotomin, Yuri F. Zhukovskii, Sergei Piskunov, D. E. Ellis   +3 more
openalex   +1 more source

Exploring the Mechanism of Ammonium Dinitramide Synthesis through DFT Calculations. [PDF]

ACS Omega
Queiroz LMSV, Fernandes GFS, Silva JRC, Machado FBC, Ferrão LFA.   +4 more
europepmc   +1 more source

Molecular structure of trans-cinnamaldehyde as determined by gas electron diffraction aided by DFT calculations [PDF]

, 2008
Toru Egawa, Rui Matsumoto, Daisuke Yamamoto, Hiroshi Takeuchi   +3 more
openalex   +1 more source