Published 1997
| Version v1
Journal article
Calculations of the enthalpies of formation of carbenes in the ground state in the gas phase
- 1. RAN, Ivanovo (Russian Federation). Inst. Khimii Nevodnykh Rastvorov
- 2. RAN, Moscow (Russian Federation). Inst. Organicheskoj Khimii
Description
Known enthalpies of formation (ΔfH0) of carbenes in the ground state in the gas phase were analyzed; the prospects for the theoretical evaluation of ΔfH0 were considered. The ΔfH0 values of carbenes were calculated by the group-addition method, developed previously for free radicals, as well as by the AM1 and PM3 quantum-chemical methods; these methods were compared. 31 refs., 4 figs., 3 tabs
Additional details
Additional titles
- Original title (Russian)
- Расчет жнтальпий образования карбенов в основном состоянии в газовой фаз е
Publishing Information
- Journal Title
- Izvestiya Akademii Nauk. Rossijskaya Akademiya Nauk. Seriya Khimicheskaya
- Journal Issue
- no.1
- Journal Page Range
- p. 57-63.
- ISSN
- 1026-3500
- CODEN
- IASKEA
INIS
- Country of Publication
- Russian Federation
- Country of Input or Organization
- Russian Federation
- INIS RN
- 28060806
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- CARBENES; COMPUTER CALCULATIONS; FORMATION HEAT; GASES; MOLECULAR STRUCTURE; NUMERICAL SOLUTION
- Descriptors DEC
- ENTHALPY; FLUIDS; PHYSICAL PROPERTIES; RADICALS; REACTION HEAT; THERMODYNAMIC PROPERTIES