Crystal (software)

Known as: Crystal (disambiguation) 
CRYSTAL is a quantum chemistry ab initio program, designed primarily for calculations on crystals (3 dimensions), slabs (2 dimensions) and polymers… (More)
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Topic mentions per year

Topic mentions per year

2001-2017
02420012017

Papers overview

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2017
2017
  • 2017
Porous materials have gained attention in the last few years due to the increase of potential application, in special, on… (More)
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2014
2014
This letter investigates the subthreshold electron transport properties of ultrascaled phase change material (PCM) GeTe, which is… (More)
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2012
2012
Realizing an optically flat and lightweight high-speed scanning micromirror still remains as a challenging problem. In this paper… (More)
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2012
2012
The calculations based on linear combination of atomic orbitals basis functions as implemented in CRYSTAL09 computer code have… (More)
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2011
2011
The performance of six different density functionals (LDA, PBE, PBESOL, B3LYP, PBE0, and WC1LYP) in describing the infrared… (More)
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2009
2009
  • E. R. Seydel
  • 2009 IEEE International Frequency Control…
  • 2009
An analysis of the main effects of crystal and oscillator aging and the first results of calculations will be shown. The summary… (More)
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2009
2009
Single frequency coherent terahertz-wave generation method is used to obtain low-frequency spectra of the hydrogen bonding… (More)
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2008
2008
The Coupled Perturbed Hartree-Fock (CPHF) scheme recently implemented in the CRYSTAL06 code for systems periodic in 1-3… (More)
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2008
2008
The Coupled Perturbed Hartree-Fock (CPHF) scheme has been implemented in the CRYSTAL06 program, that uses a gaussian type basis… (More)
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2005
2005
Surface energies of some simple metals (Be, Al, Mg, Li, and Na) were calculated within density functional theory. Various… (More)
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