Results 141 to 150 of about 136,956 (187)
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Hereditary angioedema with F12 mutation
Annals of Allergy, Asthma & Immunology, 2016Macarena Piñero-Saavedra +7 more
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Journal of Chemical Theory and Computation, 2019
We present benchmark results for the A24, S66, and X40 sets of intermolecular interaction energies obtained with our recently developed PNO-LCCSD(T)-F12 method. Using the aug-cc-pVQZ-F12 basis set and tight domain options, the root-mean-square (RMSD) and
Qianli Ma, H. Werner
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We present benchmark results for the A24, S66, and X40 sets of intermolecular interaction energies obtained with our recently developed PNO-LCCSD(T)-F12 method. Using the aug-cc-pVQZ-F12 basis set and tight domain options, the root-mean-square (RMSD) and
Qianli Ma, H. Werner
semanticscholar +1 more source
Hereditary Angioedema with Normal C1 Inhibitor and F12 Mutations in 42 Brazilian Families.
Journal of Allergy and Clinical Immunology: In Practice, 2017BACKGROUND Hereditary angioedema (HAE) with normal C1 inhibitor (C1-INH) is a rare condition with clinical features similar to those of HAE with C1-INH deficiency. Mutations in the F12 gene have been identified in subsets of patients with HAE with normal
C. L. Veronez +20 more
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General orbital invariant MP2-F12 theory
The Journal of Chemical Physics, 2007A general form of orbital invariant explicitly correlated second-order closed-shell Møller-Plesset perturbation theory (MP2-F12) is derived, and compact working equations are presented. Many-electron integrals are avoided by resolution of the identity (RI) approximations using the complementary auxiliary basis set approach.
Werner, HJ, Adler, TB, Manby, FR
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Gene, 2019
Factor XII (FXII) is a coagulation protein that initiates surface-activation of the coagulation cascade in vitro. The protein's in vivo role, however, remains poorly defined.
Haruhiko Maruyama +3 more
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Factor XII (FXII) is a coagulation protein that initiates surface-activation of the coagulation cascade in vitro. The protein's in vivo role, however, remains poorly defined.
Haruhiko Maruyama +3 more
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AIP Conference Proceedings, 2015
This work demonstrates the performance of the recently proposed explicitly correlated coupled-cluster method CCSD(F12*) and a new method using explicitly correlated triple excitations, CC3(F12*), in the calculation of the static ESHG hyperpolarizability of the Ne atom.
Matthias Hanauer, Andreas Köhn
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This work demonstrates the performance of the recently proposed explicitly correlated coupled-cluster method CCSD(F12*) and a new method using explicitly correlated triple excitations, CC3(F12*), in the calculation of the static ESHG hyperpolarizability of the Ne atom.
Matthias Hanauer, Andreas Köhn
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Alloy Digest, 2009
Abstract Wieland-F12 is a resistance alloy with a low coefficient of electrical resistance. This datasheet provides information on composition, physical properties, hardness, elasticity, and tensile properties. It also includes information on corrosion resistance as well as forming, heat treating, machining, and joining.
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Abstract Wieland-F12 is a resistance alloy with a low coefficient of electrical resistance. This datasheet provides information on composition, physical properties, hardness, elasticity, and tensile properties. It also includes information on corrosion resistance as well as forming, heat treating, machining, and joining.
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SERPING1 and F12 combined variants in a hereditary angioedema family
Annals of Allergy, Asthma & Immunology, 2018Delphine Charignon +4 more
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Journal of Chemical Theory and Computation, 2012
In this work, we apply the recently proposed MP2 correction to incremental energies within the domain-specific basis set approach to incrementally expanded CCSD(T)(F12) energies. The approach is tested for a set of 27 molecules with different electronic structures including water clusters, aqua complexes, aliphatic hydrocarbons, alkenes, alkynes ...
Joachim, Friedrich, Katarzyna, Walczak
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In this work, we apply the recently proposed MP2 correction to incremental energies within the domain-specific basis set approach to incrementally expanded CCSD(T)(F12) energies. The approach is tested for a set of 27 molecules with different electronic structures including water clusters, aqua complexes, aliphatic hydrocarbons, alkenes, alkynes ...
Joachim, Friedrich, Katarzyna, Walczak
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2023
The Minor Planet Electronic Circulars contain information on unusual minor planets, routine data on comets and natural satellites, and occasional editorial announcements. They are published on behalf of Division F of the International Astronomical Union by the Minor Planet Center, Smithsonian Astrophysical Observatory, Cambridge, MA 02138, U.S.A.
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The Minor Planet Electronic Circulars contain information on unusual minor planets, routine data on comets and natural satellites, and occasional editorial announcements. They are published on behalf of Division F of the International Astronomical Union by the Minor Planet Center, Smithsonian Astrophysical Observatory, Cambridge, MA 02138, U.S.A.
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