Results 221 to 230 of about 164,402 (291)

Radical Stability Paradox: Substituent Effects versus Heats of Formation. [PDF]

Chemistry
Rodrigues Silva D, Vermeeren P, van der Schuur JM, Bickelhaupt FM.   +3 more
europepmc   +1 more source

Using a Hierarchical Molecular Structure-Based Method to Estimate the Physicochemical Properties of Halogen/Cyano-Substituted Alkanes. [PDF]

ACS Omega
Ling Y, Cao CT, Cao C.
europepmc   +1 more source

Some of the next articles are maybe not open access.

Related searches:

Enthalpies of formation from B3LYP calculations

Journal of Computational Chemistry, 2004
AbstractWe have calculated the geometries, energies, and normal vibrations of 845 compounds containing the elements H, C, N, O, F, Al, Si, P, S, and Cl using hybrid density functional theory in order to investigate the accuracy of atom‐additive schemes for predicting enthalpies of formation at 298 K.
Paul, Winget, Timothy, Clark
openaire   +2 more sources

Size-Dependent Formation Enthalpy of Nanocompounds

The Journal of Physical Chemistry B, 2005
A quantitative thermodynamic model for the size-dependent formation enthalpy of nanocompounds is proposed. The model reveals that the thermal stability of nanocompounds decreases because of the size dependence of formation enthalpy when the size of these nanostructures decreases.
Liang, L.H., Yang, G.W., Li, B.
openaire   +2 more sources

Enthalpies of formation of lactams

Russian Journal of Physical Chemistry A, 2013
Combustion calorimetry is used to measure the enthalpies of combustion and formation of azacyclooctan-2-one (I), azacyclononan-2-one (II), and azacyclotridecan-2-one (III) in the crystalline, liquid, and gaseous states. Conformational analysis is conducted, and quantum chemical calculations of the compounds’ enthalpies of formation in the gas phase for
V. N. Emel’yanenko, S. P. Verevkin, V. V. Turovtsev, Yu. D. Orlov   +3 more
openaire   +1 more source

Enthalpies of formation of nitrodiazoles

Russian Chemical Bulletin, 2016
The enthalpies of combustion for 3,4,5-trinitro-1Н-pyrazole, 1-methyl-3,4,5-trinitro-1Н-pyrazole, 3,4,5-trinitro-1Н-pyrazole ammonium salt, and ammonium salts of all isomeric dinitropyrazoles and dinitroimidazoles were measured by bomb calorimetry, and the corresponding enthalpies of formation were calculated.
T. S. Kon’kova, E. A. Miroshnichenko, A. B. Vorob’ev, Yu. N. Matyushin, T. K. Shkineva, I. L. Dalinger   +5 more
openaire   +1 more source

Enthalpy of formation of Y2Ba4Cu7O14.916

The Journal of Chemical Thermodynamics, 1998
The standard molar enthalpy of formation of Y2Ba4Cu7O14.916atT=298.15 K has been determined by solution calorimetry to be: ΔfHm0(Y2Ba4Cu7O14.916, cr, 298.15 K)=(−5465.7±7) kJ·mol−1. During the experiment the molar enthalpies of reaction of the Y2Ba4Cu7O14.916high-temperature superconductor and metallic yttrium with 1.07 N HCl have been measured in a ...
A.S. Monayenkova, A.A. Popova, V.V. Kuzmenko, J. Karpinski, K. Conder   +4 more
openaire   +1 more source