Results 211 to 220 of about 11,133 (240)

MP2-R12 calculations on the relative stability of carbocations

The Journal of Physical Chemistry, 1990
The MP2-R12 method (second-order MOller-Plesset perturbation theory with linear r 12 -dependent terms) is briefly presented, and applications to the ions CH 5 + , C 2 H 3 + , C 3 H 5 + , and C 3 H 7 + are described. With the MP2-R12 method one comes rather close to the basis set limit of MP2 theory, although the MP2-R12 method does not provide ...
Klopper, Wim, Kutzelnigg, Werner
openaire   +2 more sources

Multireference R12 Coupled Cluster Theory

2010
In order to account for static electron correlation, the explicitly correlated coupled cluster (CC) theory based on the R12 Ansatz is formulated with respect to a multi-determinantal reference using the Brillouin – Wigner (BW) approach. Though the latter avoids appearance of the intruder states, one pays for this desired feature by the loss of size ...
Stanislav Kedžuch, Ondřej Demel, Jiří Pittner, Jozef Noga   +3 more
openaire   +1 more source

Towards Universal R12 Consistent Basis Sets

Collection of Czechoslovak Chemical Communications, 2003
Using H- and H2 as examples, it is demonstrated that parameters of the one-electron basis sets optimized for explicitly correlated R12 calculations are quite different from those developed for conventional calculations that utilize a usual configuration interaction expansion for the wavefunction.
Jozef Noga, Pierre Valiron
openaire   +1 more source

An investigation of the mechanism of the R12-oil-steel reaction

Wear, 1991
Abstract Past work has shown that the chemical stability of hydrocarbon lubricating oils used in closed refrigeration compressor systems containing the refrigerant CCl 2 F 2 (R12) is diminished by a chemical interaction between the oil, the R12 and the steel surfaces present in the compressor.
A. Factor, P.M. Miranda
openaire   +1 more source

Investigation of refrigerating system with R12 refrigerant replacements

Applied Thermal Engineering, 2000
This paper deals with the influence of R12 working fluid replacements on energy efficiency and global warming expressed by values of Coefficient of Performance (COP) and Total Equivalent Warming Impact (TEWI). Experimental investigations are presented which relate the use of refrigerants R134a, R401A, R409A, R22 and the mixture of R134a with R12 to the
openaire   +1 more source

MPEC 2025-R12 : 2025 RC

The Minor Planet Electronic Circulars contain information on unusual minor planets, routine data on comets and natural satellites, and occasional editorial announcements. They are published on behalf of Division F of the International Astronomical Union by the Minor Planet Center, Smithsonian Astrophysical Observatory, Cambridge, MA 02138, U.S.A.
openaire   +1 more source

Potential for efficient microbial remediation of Cr(VI) in wastewater using Deinococcus wulumuqiensis R12

Journal of Applied Microbiology, 2023
Ling Jiang, Zhu Liying
exaly  

MPEC 2024-R12 : 2024 QH2

The Minor Planet Electronic Circulars contain information on unusual minor planets, routine data on comets and natural satellites, and occasional editorial announcements. They are published on behalf of Division F of the International Astronomical Union by the Minor Planet Center, Smithsonian Astrophysical Observatory, Cambridge, MA 02138, U.S.A.
openaire   +1 more source

R12. Development of Vignettes for Healthcare Education and Research

Pain Management Nursing, 2021
Andrea Jimmerson, Barbara St. Marie
openaire   +1 more source

Exergy analysis of R413A as replacement of R12 in a domestic refrigeration system

Energy Conversion and Management, 2010
Rémi Revellin, Jocelyn Bonjour
exaly