Cellular and developmental basis of orofacial clefts
Sign Up to like & getrecommendations! Published in 2020 at "Birth Defects Research"
DOI: 10.1002/bdr2.1768
Abstract: During craniofacial development, defective growth and fusion of the upper lip and/or palate can cause orofacial clefts (OFCs), which are among the most common structural birth defects in humans. The developmental basis of OFCs includes… read more here.
Keywords: orofacial clefts; basis; basis orofacial; palate ... See more keywords
CBC‐Clock Theory of Life – Integration of cellular circadian clocks and cellular sentience is essential for cognitive basis of life
Sign Up to like & getrecommendations! Published in 2021 at "BioEssays"
DOI: 10.1002/bies.202100121
Abstract: Cellular circadian clocks represent ancient anticipatory systems which co‐evolved with the first cells to safeguard their survival. Cyanobacteria represent one of the most ancient cells, having essentially invented photosynthesis together with redox‐based cellular circadian clocks… read more here.
Keywords: sentience; basis; circadian clocks; life ... See more keywords
Adaptive numerical modeling using the hierarchical Fup basis functions and control volume isogeometric analysis
Sign Up to like & getrecommendations! Published in 2020 at "International Journal for Numerical Methods in Fluids"
DOI: 10.1002/fld.4830
Abstract: A novel adaptive algorithm that is based on new hierarchical Fup (HF) basis functions and a control volume formulation is presented. Because of its similarity to the concept of isogeometric analysis (IGA), we refer to… read more here.
Keywords: order; basis; control volume; isogeometric analysis ... See more keywords
The Economics of Liquid Staking Derivatives: Basis Determinants and Price Discovery
Sign Up to like & getrecommendations! Published in 2024 at "Journal of Futures Markets"
DOI: 10.1002/fut.22556
Abstract: This paper provides a first economic analysis of liquid staking tokens, which are derivatives representing a share of staked tokens in Proof‐of‐Stake blockchains. We document substantial time‐variation in the “liquid staking basis” as given by… read more here.
Keywords: liquid staking; economics; price discovery; basis ... See more keywords
BSSE‐correction scheme for consistent gaussian basis sets of double‐ and triple‐zeta valence with polarization quality for solid‐state calculations
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26013
Abstract: Revised versions of our published pob‐TZVP [Peintinger, M. F.; Oliveira, D. V. and Bredow, T., J. Comput. Chem., 2013, 34 (6), 451–459.] and unpublished pob‐DZVP basis sets, denoted as pob‐TZVP‐rev2 and pob‐DZVP‐rev2, have been derived… read more here.
Keywords: basis; consistent gaussian; scheme consistent; correction scheme ... See more keywords
BSSE‐corrected consistent Gaussian basis sets of triple‐zeta valence with polarization quality of the fifth period for solid‐state calculations
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26839
Abstract: Revised versions of our published pob‐TZVP basis sets [Laun, J.; Vilela Oliveira, D. and Bredow, T., J. Comput. Chem., 2018, 39 (19), 1285–1290] have been derived for periodic quantum‐chemical solid‐state calculations. They complete our pob‐TZVP‐rev2… read more here.
Keywords: basis sets; fifth period; state calculations; basis ... See more keywords
Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for hydrogen through xenon
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26990
Abstract: Two new relativistic adapted Gaussian basis sets of small and medium size are presented for all elements from Hydrogen through Xenon. These sets are free of variational prolapse and were developed with the polynomial generator… read more here.
Keywords: basis; basis sets; medium size; small medium ... See more keywords
Influence of the complete basis set approximation, tight weighted‐core, and diffuse functions on the DLPNO‐CCSD(T1) atomization energies of neutral H,C,O‐compounds
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27033
Abstract: The impact of complete basis set extrapolation schemes (CBS), diffuse functions, and tight weighted‐core functions on enthalpies of formation predicted via the DLPNO‐CCSD(T1) reduced Feller‐Peterson‐Dixon approach has been examined for neutral H,C,O‐compounds. All tested three‐point… read more here.
Keywords: basis; basis set; tight weighted; weighted core ... See more keywords
Correlation consistent auxiliary basis sets in density fitting Hartree–Fock: The atoms sodium through argon revisited
Sign Up to like & getrecommendations! Published in 2023 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27069
Abstract: We present a series of auxiliary basis sets, for the elements Na to Ar, for use in density‐fitted Hartree–Fock calculations with the correlation consistent cc‐pV(n + d)Z orbital basis sets. Benchmarking on total molecular energies, reaction energies… read more here.
Keywords: basis sets; density; auxiliary basis; correlation consistent ... See more keywords
BSSE‐corrected consistent Gaussian basis sets of triple‐zeta valence quality of the lanthanides La‐Lu for solid‐state calculations
Sign Up to like & getrecommendations! Published in 2023 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27097
Abstract: Consistent basis sets of triple‐zeta valence quality for the elements La‐Lu were derived for periodic quantum‐chemical solid‐state calculations. They are an extension of the pob‐TZVP‐rev2 [D. Vilela Oliveira, et al., J. Comput. Chem. 2019, 40(27),… read more here.
Keywords: basis sets; sets triple; zeta valence; basis ... See more keywords
Efficient High‐Level Quantum Chemical Exploration of Clathrate Hydrates via Fragmentation
Sign Up to like & getrecommendations! Published in 2025 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.70260
Abstract: We present fragmentation‐based MP2 and CCSD(T)‐level energetic calculations on naturally occurring clathrates encapsulating gas molecules CO 2$$ {}_2 $$ , CH 4$$ {}_4 $$ , and H 2$$ {}_2 $$ S, within a 20‐water cage.… read more here.
Keywords: exploration; high level; level; fragmentation ... See more keywords