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Multicenter Bonding in Open-Shell Systems. A Nonlinear Population Analysis Approach.
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CF - Fyzikální chemie a teoretická chemie
- 2000 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Electronic states and infrared spectroscopy of Ni- and Co-phthalocyanines: neutral and oxidized forms.
represent standard cases, i.e., they can be taken as a closed-shell and open-shell system, respectively, the electron configurattion of CoPc+ must be taken as an open-shell system toget ...
CD - Makromolekulární chemie
- 2002 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Domain Averaged Fermi Hole Analysis for Open-Shell Systems
The paper reports the extension of the new original methodology for the analysis and visualization of the bonding interactions, known as the analysis of domain averaged Fermi holes (DAFH), to open shell systems. The propose...
CF - Fyzikální chemie a teoretická chemie
- 2009 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Similarity transformed equation of motion coupled-cluster theory based on an unrestricted Hartree-Fock reference for applications to high-spin open-shell systems
The similarity transformed equation of motion coupled-cluster approach is extended for applications to high-spin open-shell systems, within the unrestricted alternative to UHF EOM-CCSD for the calculation of excited states ...
Physical chemistry
- 2017 •
- Jimp •
- Link
Rok uplatnění
Jimp - Článek v periodiku v databázi Web of Science
Výsledek na webu
Hybrid expert system shell
This paper briefly describes an open expert system shell. It gives account of its most significant functionalities. Two different knowledge base representation methods used in this system are described. One of them...
JC - Počítačový hardware a software
- 2010 •
- D
Rok uplatnění
D - Stať ve sborníku
Equipment for testing the tightness of walls to three sides of open shells
Device for testing the quality of wall tightness to three sides of open shells, comprising a base on which a foundation chamber is formed containing a storage surface with a test air supply for accommodating the shell, at l...
Mechanical engineering
- 2021 •
- P •
- Link
Rok uplatnění
P - Patent
Výsledek na webu
Steering large magnetic exchange coupling in nanographenes near the closed-shell to open-shell transition
The design of open-shell carbon-based nanomaterials is at the vanguard predictions indicate that the largest MEC for open-shell NGs occurs in proximity to the transition between closed-shell and openshell ...
Condensed matter physics (including formerly solid state physics, supercond.)
- 2023 •
- Jimp •
- Link
Rok uplatnění
Jimp - Článek v periodiku v databázi Web of Science
Výsledek na webu
Product-controlled production process based on I4.0 administration shells
in with the agent systems and implements the digital twin as an I4.0 administration shellThe Industry 4.0 initiative promises application scenarios to open up new potentials in convertible manufacturing. One of these appli...
Electrical and electronic engineering
- 2020 •
- O •
- Link
Rok uplatnění
O - Ostatní výsledky
Výsledek na webu
Manuports, peculiar finds, and decorated objects
tertiarry shells with natural and anthropic openings, regular incissions, anthropomorph sculpture...
AC - Archeologie, antropologie, etnologie
- 2009 •
- C
Rok uplatnění
C - Kapitola v odborné knize
Product-controlled production process based on I4.0 asset administration shells
The Industry 4.0 initiative promises application scenarios to open up new potentials in convertible manufacturing. One of these application scenarios is the decentralized control of production. The prerequisite is that the products and means...
Automation and control systems
- 2020 •
- D •
- Link
Rok uplatnění
D - Stať ve sborníku
Výsledek na webu
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