Slimmer Geminals For Accurate F12 Electronic Structure Models. [PDF]
J Chem Theory ComputThe Slater-type F12 geminal length scales originally tuned for the second-order Mo̷ller-Plesset F12 method are too large for higher-order F12 methods formulated using the SP (diagonal fixed-coefficient spin-adapted) F12 ansatz. The new geminal parameters
Powell SR +3 more
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Aging, 2022 Objective: To explore the function of coagulation factor XII (F12) in papillary thyroid cancer (PTC). Materials and Methods: We assessed F12 expression and its relationship with overall survival (OS) in various cancers using TIMER and TISIDB databases ...
Jun-hua Luo, Xiu-Xia Zhang, Wuhua Sun
semanticscholar +1 more source
Journal of Information Display, 2022 We present the fluorinated hexaazatrinaphthylene derivative, 1,2,3,4,7,8,9,10,13,14,15,16-dodecafluoro-5,6,11,12,17,18-hexaazatrinaphthylene (HATNA-F12), as a new material to replace another hexaazatrinaphthylene molecule, 1,4,5,8,9,11 ...
Gunel Huseynova +5 more
doaj +1 more source
DIGESTIVE ENZYME AS BENCHMARK FOR INSECTICIDE RESISTANCE DEVELOPMENT IN CULEX PIPIENS LARVAE TO CHEMICAL AND BACTERIOLOGIC INSECTICIDES [PDF]
Journal of the Egyptian Society of Parasitology, 2013 This work monitored changes in some digestive enzymes (trypsin and aminopeptidase) associated with the building up of resistance in Cx. pipiens larvae to two chemical insecticides (methomyl and/or malathion) and one biological insecticide(Bacillus ...
GAMAL EL KADY, IMAN BAHGAT, NASHWA KAMEL
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Labor standards and social conditions in free trade zones: the case of the Manaus free trade zone
Economics: Journal Articles, 2020 The creation of the Manaus Free Trade Zone had a development purpose in the Brazilian political, economic and social scenario between 1960 and 1970. This industrial pole was an important device in achieving the desired development, populating a region ...
Teixeira Louisiana Cavalcanti
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Canonical and DLPNO-Based Composite Wavefunction Methods Parametrized against Large and Chemically Diverse Training Sets. 2: Correlation-Consistent Basis Sets, Core–Valence Correlation, and F12 Alternatives [PDF]
Journal of Chemical Theory and Computation, 2020 A hierarchy of wavefunction composite methods (cWFT), based on G4-type cWFT methods available for elements H through Rn, was recently reported by the present authors [J. Chem. Theor. Comput.2020, 16, 4238].
Emmanouil C. Semidalas, Jan M. L. Martin
semanticscholar +1 more source
Export Competitiveness Analysis of Creative Industries in the European Union
Economics and Culture, 2020 Research purpose. The research purpose is to assess and compare the competitiveness of the EU creative industries’ export.
Krisiukėnienė Deimantė +1 more
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Nonholonomic frames for Finsler space with deformed infinite series of (α,β) metric [PDF]
Journal of Hyperstructures, 2023 The purpose of present paper to determine the Finsler spaces due to deformation of special Finsler (α, β) -metric. Consequently, we obtained the non-holonomic frame with the help of α2=aij(x)yiyj, one form metric β=bi(x)yi and infinite series of (α, β ...
Brijesh Kumar Tripathi, V. K. Chaubey
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A scaled explicitly correlated F12 correction to second-order Møller-Plesset perturbation theory.
Journal of Chemical Physics, 2021 An empirically scaled version of the explicitly correlated F12 correction to second-order Møller-Plesset perturbation theory (MP2-F12) is introduced.
L. Urban, T. H. Thompson, C. Ochsenfeld
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Genetic model and exploration target area of geothermal resources in Hongtang Area, Xiamen, China
Journal of Groundwater Science and Engineering, 2022 The geothermal resources in Fujian Province are mainly hydrothermal resources of medium-low temperature. To better understand the whole process and conditions of heat control in the middle and deep crust, this study focuses on the analysis of heat ...
Chun-lei Liu +4 more
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