Results 171 to 180 of about 51,764 (223)
Some of the next articles are maybe not open access.
A new NICS-based aromaticity index; NICS-rate
Chemical Physics Letters, 2010Abstract The NICS-rate index is introduced as a new aromaticity indicator. The presence of a maximum/minimum in the NICS-rate curve ( Δ NICS Δ r versus r) of a molecule indicates to aromaticity/antiaromaticity of the system. For those molecules, which show both maximum and minimum in their curves, the absolute ratio of the maximum to ...
Siamak Noorizadeh, Maryam Dardab
openaire +1 more source
AIP Conference Proceedings, 2012
A ring current model describing the flow of delocalized electrons, induced in unsaturated molecules by a magnetic field perpendicular to the molecular plane, has been developed to define simple and practical indices of current strength, which provide a reliable measure of aromaticity on the magnetic criterion.
Stefano Pelloni +3 more
openaire +3 more sources
A ring current model describing the flow of delocalized electrons, induced in unsaturated molecules by a magnetic field perpendicular to the molecular plane, has been developed to define simple and practical indices of current strength, which provide a reliable measure of aromaticity on the magnetic criterion.
Stefano Pelloni +3 more
openaire +3 more sources
The distributed and parallel NIC server
Future Generation Computer Systems, 1992Abstract The NIC-Server is a high-performance, low-overhead experimental system which supports distributed and parallel programming in FORTRAN using asynchronous RPC. The minimal requirements from users are natural to FORTRAN programmers; ANSI C implementation on top of the lower layers of Sun-RPC, and the built-in scheduler, ensure good portability ...
Andrei Heilper +2 more
openaire +1 more source
Chemical Physics, 2001
Abstract The multireference configuration interaction (MRCI) method, based on complete-active-space self-consistent-field wave functions, has been employed to study the X 1 Σ + and A 1 Π states of NiC. Potential energy curves, dipole moments, and transition dipole moment functions (TDM) have been computed over a wide ...
openaire +1 more source
Abstract The multireference configuration interaction (MRCI) method, based on complete-active-space self-consistent-field wave functions, has been employed to study the X 1 Σ + and A 1 Π states of NiC. Potential energy curves, dipole moments, and transition dipole moment functions (TDM) have been computed over a wide ...
openaire +1 more source
World Futures Review, 2013
This study describes the probable and synergistic societal future drivers and states which will result from a combination of human pressures upon the ecosystem and the ongoing IT, Bio, Nano, Quantum and Energetics Technology Revolutions.
openaire +1 more source
This study describes the probable and synergistic societal future drivers and states which will result from a combination of human pressures upon the ecosystem and the ongoing IT, Bio, Nano, Quantum and Energetics Technology Revolutions.
openaire +1 more source
CSI NIC Mid Term Meet: NIC 2024
Indian Journal Of Clinical PracticeCONFERENCE ...
openaire +1 more source
Conference companion on Human factors in computing systems - CHI '95, 1995
Dan R. Olsen +6 more
openaire +1 more source
Dan R. Olsen +6 more
openaire +1 more source