Results 161 to 170 of about 2,056,277 (235)

SMILES all around: structure to SMILES conversion for transition metal complexes. [PDF]

J Cheminform
Rasmussen MH, Strandgaard M, Seumer J, Hemmingsen LK, Frei A, Balcells D, Jensen JH.   +6 more
europepmc   +1 more source

Synthesis of polyurethanes through the oxidative decarboxylation of oxamic acids: a new gateway toward self-blown foams. [PDF]

Chem Sci
Jaussaud Q, Ogbu IM, Pawar GG, Grau E, Robert F, Vidil T, Landais Y, Cramail H.   +7 more
europepmc   +1 more source

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Observation of gaseous Li4P: A hypervalent molecule

Chemical Physics Letters, 1991
Abstract With Knudsen-effusion mass spectrometry, gaseous Li2P, Li3P, Li4P, LiP2 and Li2P2 species were observed in the equilibrium vapor over Li3P(s) at temperatures above 1100 K. The atomization energies of the Li2P, Li3P and Li4P molecules were determined to be 450±24, 648±26 and 873±35 kJ/mol, respectively.
Hiroshi Kudo, K.F. Zmbov
openaire   +3 more sources

Hypervalent Iodine Reagents for the Oxidation of Alcohols and Their Application to Complex Molecule Synthesis [PDF]

ChemInform, 2004
AbstractFor Abstract see ChemInform Abstract in Full Text.
Yasuyuki Kita, Hirofumi Tohma
openaire   +3 more sources

Surface Ionization Study of the Hypervalent Li2F Molecule

Rapid Communications in Mass Spectrometry, 1996
The surface ionization method offers the possibility of measuring ionization energies of atoms, inorganic and organic molecules and clusters, In this study we report the results of the surface ionization of Li2F molecules on a rhenium surface, This work is an attempt to investigate the applicability of the surface ionization technique for the ...
Veljković, Miomir V., Nešković, Olivera M., Miletić, Miodrag B., Zmbov, Kiro F.   +3 more
openaire   +4 more sources

Chemical Bonding in Hypervalent Molecules:  Is the Octet Rule Relevant?

Inorganic Chemistry, 2002
The bonding in a large number of hypervalent molecules of P, As, S, Se, Te, Cl, and Br with the ligands F, Cl, O, CH(3), and CH(2) has been studied using the topological analysis of the electron localization function ELF. This function partitions the electron density of a molecule into core and valence basins and further classifies valence basins ...
Bernard Silvi, Stéphane Noury, Ronald J. Gillespie   +2 more
openaire   +4 more sources

Predicting the Stability of Hypervalent Molecules

Journal of Chemical Education, 2007
In this exercise, students use concepts in thermochemistry such as bond energy, ionization potentials, and electron affinities to predict the relative stability of two hypervalent molecules (PF5 and PH5) relative to their respective non-hypervalent counterparts.
Jeremy Kua, Debbie Finocchio, Tracy A. Mitchell   +2 more
openaire   +3 more sources

Electron pairing and chemical bonds: Bonding in hypervalent molecules from analysis of Fermi holes

Journal of Computational Chemistry, 1999
Bonding in the hypervalent molecules SF4 , BrF5 , PF5 , and SF6 was studied using multicenter bond order indices and examination of the eigenvalues and the eigenvectors of the Fermi holes of the constituent atoms. Diagonalization of the Fermi holes provided quantitative validation of Musher's categorization of hypervalency with SF4 and BrF5 ...
Robert Ponec, Anthony J. Duben
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Structure and Stability of the Hypervalent Na₂CN Molecule:  An Experimental and ab Initio Study

The Journal of Physical Chemistry, 1996
The Na2CN molecule has been detected in the vapor over a mixture of sodium metal and sodium cyanide by means of Knudsen effusion mass spectrometry. The ionization potential, IP(Na2CN+) = 4.9 ± 0.2 eV, and the energy of dissociation into NaCN and Na, D0°(NaCN−Na) = 24.8 ± 1.6 kcal/mol, have been determined.
Chao Wu, Masashi Hashimoto, and Keiichi Yokoyama, Paul von Ragué Schleyer, Hiroshi Kudo   +4 more
openaire   +3 more sources