Results 81 to 90 of about 241,099 (282)

Planetary Dynamics and Habitable Planet Formation In Binary Star Systems

open access: yes, 2009
Whether binaries can harbor potentially habitable planets depends on several factors including the physical properties and the orbital characteristics of the binary system.
A Deprit   +108 more
core   +1 more source

Discovery of a bright eclipsing cataclysmic variable [PDF]

open access: yes, 2007
We report on the discovery of J0644+3344, a bright deeply eclipsing cataclysmic variable (CV) binary. Spectral signatures of both binary components and an accretion disk can be seen at optical wavelengths.
Augusteijn   +21 more
core   +2 more sources

Intermolecular Interactions as Driving Force of Increasing Multiphoton Absorption in a Perylene Diimide‐Based Coordination Polymer

open access: yesAdvanced Functional Materials, EarlyView.
This study uncovers the unexplored role of intermolecular interactions in multiphoton absorption in coordination polymers. By analyzing [Zn2tpda(DMA)2(DMF)0.3], it shows how the electronic coupling of the chromophores and confinement in the MOF enhance two‐and three‐photon absorption.
Simon Nicolas Deger   +11 more
wiley   +1 more source

Theoretical Study on the Interaction of o-Tetrafluorophenylene Mercury with Ethylene and Acetylene

open access: yesMolecules, 2003
The results of a theoretical study on the interaction of o-tetrafluorophenylene mercury with ethylene and acetylene are reported. The AM1 molecular orbital semiempirical method is applied through a complete optimization procedure without any restrictions
Eduardo A. Castro
doaj   +1 more source

Understanding and Optimizing Li Substitution in P2‐Type Sodium Layered Oxides for Sodium‐Ion Batteries

open access: yesAdvanced Functional Materials, EarlyView.
This work explores Li‐substituted P2 layered oxides for Na‐ion batteries by crystallographic and electrochemical studies. The effect of lithium on superstructure orderings, on phase transitions during synthesis and electrochemical cycling and on the interplay of O‐ versus TM‐redox is revealed via various advanced techniques, including semi‐simultaneous 
Mingfeng Xu   +5 more
wiley   +1 more source

An ab initio study of the mechanism of the cycloaddition reaction forming bicyclic compounds between vinylidene (H2C=C:) and ethylene [PDF]

open access: yesJournal of the Serbian Chemical Society, 2011
The mechanism of the cycloaddition reaction forming a bicyclic compounds between singlet vinylidene (H2C=C:) and ethylene was investigated using the CCSD(T)//MP2/6-31G* method. From the potential energy profile, it can be predicted that this reaction has
YONGQING LI, ZHENXIA LIAN, XIUHUI LU
doaj  

Alternating Spin and Orbital Dimerization in Strong-coupling Two-band Models

open access: yes, 1998
We study a one-dimensional Hamiltonian consisting of coupled SU(2) spin and orbital degrees of freedom. Using the density matrix renormalization group, we calculate the phase-diagram and the ground state correlation functions for this model. We find that,
A. A. Nersesyan   +26 more
core   +2 more sources

Orbital formal normal forms for general Bogdanov–Takens singularity

open access: yesJournal of Differential Equations, 2003
The authors solve completely the problem of classification of germs of complex vector fields with nilpotent singularity with respect to formal orbital equivalence.
Stróżyna, Ewa, Żołądek, Henryk
openaire   +2 more sources

Intramolecular Down‐ and Up‐Conversion in Dimeric Tetracene Complexes Centered via Platinum(II) and Palladium(II)

open access: yesAdvanced Functional Materials, EarlyView.
Metal‐tetracene dimeric complexes are synthesized through the pyridyl coordination to either Pt(II) or Pd(II). Photophysical properties are systematically compared as a function of the metal using steady‐state and time‐resolved spectroscopy. The Pt(II) dimer exhibits efficient intramolecular singlet fission and subsequent intramolecular up‐conversion ...
Yifan Bo   +4 more
wiley   +1 more source

Electronic metal-support interaction modulates Cu electronic structures for CO2 electroreduction to desired products

open access: yesNature Communications
In this work, the Cu single-atom catalysts (SACs) supported by metal-oxides (Al2O3-CuSAC, CeO2-CuSAC, and TiO2-CuSAC) are used as theoretical models to explore the correlations between electronic structures and CO2RR performances.
Yong Zhang   +12 more
doaj   +1 more source

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