Results 241 to 250 of about 129,793 (295)

Structure-Reactivity Relationships in <i>N</i>-Methylpyridinium Aldoxime Isomers: Comparative Experimental and Computational Studies. [PDF]

Int J Mol Sci
Musija D, Picek I, Vianello R, Matković-Čalogović D, Foretić B, Damjanović V.   +5 more
europepmc   +1 more source

Six-Fold Methyl Internal Rotation and ¹⁴N Nuclear Quadrupole Coupling in the Microwave Spectra of <i>N</i>-Methylmaleimide and <i>N</i>-Methylsuccinimide. [PDF]

J Phys Chem A
Khemissi S, Tiu CA, Kleiner I, Nguyen HVL, Crabtree KN, Hernandez-Castillo AO.   +5 more
europepmc   +1 more source

Unveiling the Bio-Interface via Spectroscopic and Computational Studies of (Propyl-3-ol/butyl-4-ol)triphenyltin(IV) Compound Binding to Human Serum Transferrin. [PDF]

Materials (Basel)
Milanović Ž, Mrkalić E, Kulić J, Kaluđerović GN.   +3 more
europepmc   +1 more source

Deuteron Quadrupole Coupling Constants and Reorientation Correlation Times of Cations in Amino Acid Ionic Liquids. [PDF]

Chemphyschem
Kotwica D, Michalik D, Ludwig R.
europepmc   +1 more source

Hyperfine-resolved rovibrational and rotational spectroscopy of OH⁺ (<i>X</i>³Σ^-).

Phys Chem Chem Phys
Silva WGDP, Schneider L, Graf UU, Müller HSP, Jusko P, Jacob AM, Riechers D, Schlemmer S, Asvany O.   +8 more
europepmc   +1 more source

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Spectroscopic constants and molecular properties of diatomic carbides

Journal of Molecular Spectroscopy, 2004
Abstract Spectroscopic constants and molecular properties of the diatomic carbides BeC, BC + , BC, NaC, and MgC in their ground states have been studied in detail using hybrid HF/DF B3LYP method. The effect of basis set on spectroscopic constants and molecular properties have been studied systematically with the improvement of the quality of the ...
S Midda, A.K Das
exaly   +2 more sources

Microwave spectrum of P14N and P15N: Spectroscopic constants and molecular structure

Journal of Molecular Structure, 2006
Abstract In the present work the J +1← J , with J =1–3, 6, 7, 10–16, rotational transitions of P 14 N and the J +1← J , with J =1, 2, 7, 8, 10–14, rotational transitions of P 15 N have been observed in the millimeter- and submillimeter-wave region.
Gabriele Cazzoli, Cristina Puzzarini
exaly   +4 more sources

Spectroscopic constants and molecular properties of AlC and SiC in their ground state

Computational and Theoretical Chemistry, 2003
Abstract Spectroscopic constants and molecular properties of monocarbides AlC and SiC have been studied in their ground state using hybrid HF/DF B3LYP method. The effect of basis set on the spectroscopic constants and molecular properties has been discussed.
S. Midda, A.K. Das
exaly   +2 more sources

Theoretical study of spectroscopic constants and molecular properties of diatomic anions using B3LYP method

Computational and Theoretical Chemistry, 2003
Abstract Structure, spectroscopic constants and molecular properties of selected diatomic anions in their ground states have been studied in detail using HF/DF B3LYP method. The consistency of the calculated values of spectroscopic constants and molecular properties has been tested using four basis sets with improved quality.
S Midda, A.K Das
exaly   +2 more sources