cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.14135004.v1
title: Spectroscopic investigations, concentration dependent SERS, and molecular docking studies of a hydroxybenzylidene derivative

description: Spectroscopic analysis, density functional theory (DFT) studies and surface enhanced Raman scattering (SERS) of (<i>E</i>)-<i>N</i>’-(5-chloro-2-hydroxybenzylidene)-4-trifluoromethyl) benzohydrazide (CHTB) have been studied on different silver colloids in order to know the particular chemical species responsible for the spectra. Very significant shifts are observed for Raman and SERS wavenumbers. Observed changes in the υ-ring modes may be due to surface interaction of the π-electrons and the presence of this suggested that RingII is more tilted in both cases than RingI and the molecule assumes a tilted orientation for the concentration 10<sup>−3</sup> M. Orientation changes are seen in concentration dependent SERS spectra. The molecular electrostatic potential has also been constructed to determine the electron rich and poor site of CHTB. The molecular docking studies indicate that the binding affinity and hydrogen bond interactions with the receptors may be supporting evidence for further studies in designing other pharmaceutical applications of CHTB. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.20655042.v1
title: Untitled Item

description: Dataset of experimental results.
DOI: 10.6084/m9.figshare.20655042.v2
title: Dataset

description: Dataset of experimental results.
DOI: 10.5523/bris.1dfnj8ah83uru2hupk2jqu4jvx
title: Statistics education in undergraduate psychology: A survey of UK curricula

description: This observational study sought to document the statistical content taught to undergraduate psychology students in the UK. We searched for module syllabi from psychology undergraduate programmes in the UK and assessed whether the module syllabi mentioned each of 32 quantitative and statistical topics.
DOI: 10.25502/dedn-zq96/d
title: Cassava best planting practices set 5 soil data

description: The African Cassava Agronomy Initiative (ACAI) aims at improving cassava root yield and quality, and cassava supply to the processing sector. The project has 6 use cases of which best planting practices (BPP) is one. BPP is focusing on guiding farmers in choosing best-suited planting practices for cassava, with a focus on tillage operations and in close relation with improved weed control recommendations.
DOI: 10.17632/djnk46cv76.1
title: INTERGENERATIONAL TRANSMISSION OF VIOLENT IDEATIONS

description: The filial maturity of the child plays a very important role in the wide disconnect that exists between parents and their children. It can explain the extent to which a child may be willing to emulate the actions or thought processes of their parents. Studies have shown that violence can be hereditary and hence continue from one generation to the next irrespective of the environment, only up to a certain extent. The need of the study is to understand the extent to which violent ideations can be hereditary or be impacted by one’s affiliation with their parents and the relationship that they maintain with each other. The results (n=23) showed no significant correlation between the PACQ variables of regard, responsibility and control with the VIS score of the participant. The VIS score of the adult child and their mother and father (n=6) showed no significant similarities either.
DOI: 10.17632/jxnv3777hc.1
title: Dataset Virulence and drug resistance of Stenotrophomonas maltophilia SCAID WND1-2022 (370)

description: Supplementary data to the manuscript by Korotetskiy et al. "Whole genome sequence data of Stenotrophomonas maltophilia SCAID WND1-2022 (370)".
DOI: 10.5517/ccdc.csd.cc29ztrw
title: CCDC 2144789: Experimental Crystal Structure Determination

description: Related Article: Aline Delamare, Guillaume Naulet, Brice Kauffmann, Gilles Guichard, Guillaume Compain|2022|Chemical Science|13|9507|doi:10.1039/D2SC02871A
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc29ztsx
title: CCDC 2144790: Experimental Crystal Structure Determination

description: Related Article: Aline Delamare, Guillaume Naulet, Brice Kauffmann, Gilles Guichard, Guillaume Compain|2022|Chemical Science|13|9507|doi:10.1039/D2SC02871A
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.18419/darus-1332
title: Publication data for: "Effect of aluminum and sodium on the sorption of water and methanol in microporous MFI-type zeolites and mesoporous SBA-15 materials" - data from Dyballa group

description: All primary data files and processed data of the journal article from Dyballa group. This Dataset contains the measurement results from ICP-OES , N2-Physisorption, MAS-NMR and TGA-DSC. The data are sorted by the position in the article (Table 1, Table 2 and so on). The NMR data (.dx-file) can be opened with TopSpin software.
DOI: 10.18419/darus-1332/1
title: T0417H1-1.dx

description: :unav
DOI: 10.18419/darus-1332/2
title: S9964H1-6.dx

description: :unav
DOI: 10.18419/darus-1332/3
title: Na-ZSM-5_2 twice 25-100 1K, twice 100-450 5K.txt

description: :unav
DOI: 10.18419/darus-1332/4
title: T0446Na23-3.dx

description: :unav
DOI: 10.18419/darus-1332/5
title: note.txt

description: :unav
DOI: 10.18419/darus-1332/6
title: H-ZSM-5.txt

description: :unav
DOI: 10.18419/darus-1332/7
title: T0134H1-1.dx

description: :unav
DOI: 10.18419/darus-1332/8
title: T0448Na23-1.dx

description: :unav
DOI: 10.18419/darus-1332/9
title: T0405H1-2.dx

description: :unav
DOI: 10.18419/darus-1332/10
title: T0459Al27-1.dx

description: :unav
DOI: 10.18419/darus-1332/11
title: T0278H1-6.dx

description: :unav
DOI: 10.18419/darus-1332/12
title: Na[Al]SBA-15_3 twice 25-100 1K, twice 100-450 5K.txt

description: :unav
DOI: 10.18419/darus-1332/13
title: Na-ZSM-5 25-100 1K, twice 100-450 5K.txt

description: :unav
DOI: 10.18419/darus-1332/14
title: H-ZSM-5 twice 25-100 1K,100-450 5K.txt

description: :unav
DOI: 10.18419/darus-1332/15
title: S9952H1-6.dx

description: :unav
DOI: 10.18419/darus-1332/16
title: S9974H1-1.dx

description: :unav
DOI: 10.18419/darus-1332/17
title: SBA-15-AKB_2 25-100 1K, twice 100-450 5K.txt

description: :unav
DOI: 10.18419/darus-1332/18
title: Na[Al]SBA-15_2 twice 25-100 1K,100-450 5K.txt

description: :unav
DOI: 10.18419/darus-1332/19
title: H[Al]SBA-15 twice 25-100 1K,100-450 5K.txt

description: :unav
DOI: 10.18419/darus-1332/20
title: T0299H1-6.dx

description: :unav
DOI: 10.18419/darus-1332/21
title: note.txt

description: :unav
DOI: 10.18419/darus-1332/22
title: T0278H1-2.dx

description: :unav
DOI: 10.18419/darus-1332/23
title: Silicalite twice 25-100 1K, twice 100-450 5K.txt

description: :unav
DOI: 10.18419/darus-1332/24
title: 191024S3_H-ZSM-5.pdf

description: :unav
DOI: 10.18419/darus-1332/25
title: T0014H1-6.dx

description: :unav
DOI: 10.18419/darus-1332/26
title: SBA-15-AKB_2 twice 25-100 1K, twice 100-450 5K.txt

description: :unav
DOI: 10.18419/darus-1332/27
title: T0372H1-1.dx

description: :unav
DOI: 10.18419/darus-1332/28
title: Silicalite_2 25-100 1K, twice 100-450 5K.txt

description: :unav
DOI: 10.18419/darus-1332/29
title: S9974H1-6.dx

description: :unav
DOI: 10.18419/darus-1332/30
title: Na[Al]SBA-15 twice 25-100 1K,100-450 5K.txt

description: :unav
DOI: 10.18419/darus-1332/31
title: T0451Al27-2.dx

description: :unav
DOI: 10.18419/darus-1332/32
title: T0405H1-1.dx

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DOI: 10.18419/darus-1332/33
title: T0451Al27-1.dx

description: :unav
DOI: 10.18419/darus-1332/34
title: T0362Al27.dx

description: :unav
DOI: 10.18419/darus-1332/35
title: note.txt

description: :unav
DOI: 10.18419/darus-1332/36
title: Na-ZSM-5.txt

description: :unav
DOI: 10.18419/darus-1332/37
title: T0467Si29-3.dx

description: :unav
DOI: 10.18419/darus-1332/38
title: S9995Al27.dx

description: :unav
DOI: 10.18419/darus-1332/39
title: note.txt

description: :unav
DOI: 10.18419/darus-1332/40
title: S9869H1-6.dx

description: :unav
DOI: 10.18419/darus-1332/41
title: note.txt

description: :unav
DOI: 10.18419/darus-1332/42
title: 191025S1_Silicalite-1.pdf

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DOI: 10.18419/darus-1332/43
title: T0372H1-2.dx

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DOI: 10.18419/darus-1332/44
title: T0461Na23-1.dx

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DOI: 10.18419/darus-1332/45
title: T0466Si29-3.dx

description: :unav
DOI: 10.18419/darus-1332/46
title: T0450Al27-2.dx

description: :unav
DOI: 10.18419/darus-1332/47
title: T0467Si29-2.dx

description: :unav
DOI: 10.18419/darus-1332/48
title: S9643H1-1.dx

description: :unav
DOI: 10.18419/darus-1332/49
title: SBA-15-AKB 25-100 1K, twice 100-450 5K.txt

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DOI: 10.18419/darus-1332/50
title: T0417H1-6.dx

description: :unav
DOI: 10.18419/darus-1332/51
title: T0417H1-2.dx

description: :unav
DOI: 10.18419/darus-1332/52
title: T0171H1-1.dx

description: :unav
DOI: 10.18419/darus-1332/53
title: T0466Si29-2.dx

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DOI: 10.18419/darus-1332/54
title: T0456H1-1.dx

description: :unav
DOI: 10.18419/darus-1332/55
title: T0450Al27-1.dx

description: :unav
DOI: 10.18419/darus-1332/56
title: T0459Al27-3.dx

description: :unav
DOI: 10.18419/darus-1332/57
title: Silicalite_2 twice 25-100 1K, twice 100-450 5K.txt

description: :unav
DOI: 10.18419/darus-1332/58
title: T0404H1-6.dx

description: :unav
DOI: 10.18419/darus-1332/59
title: T0404H1-2.dx

description: :unav
DOI: 10.18419/darus-1332/60
title: T0254H1-6.dx

description: :unav
DOI: 10.18419/darus-1332/61
title: T0014H1-2.dx

description: :unav
DOI: 10.18419/darus-1332/62
title: H-ZSM-5 twice 25-100 1K, twice 100-450 5K.txt

description: :unav
DOI: 10.18419/darus-1332/63
title: S9912Al27.dx

description: :unav
DOI: 10.18419/darus-1332/64
title: note.txt

description: :unav
DOI: 10.18419/darus-1332/65
title: T0448Na23-3.dx

description: :unav
DOI: 10.18419/darus-1332/66
title: T0416H1-2.dx

description: :unav
DOI: 10.18419/darus-1332/67
title: T0405H1-6.dx

description: :unav
DOI: 10.18419/darus-1332/68
title: T0460Na23-1.dx

description: :unav
DOI: 10.18419/darus-1332/69
title: Na-[Al]SBA15-AKB2_145min.txt

description: :unav
DOI: 10.18419/darus-1332/70
title: Na[Al]SBA-15 twice 25-100 1K, twice 100-450 5K.txt

description: :unav
DOI: 10.18419/darus-1332/71
title: SBA-15-AKB-2nd_145min.txt

description: :unav
DOI: 10.18419/darus-1332/72
title: T0433Al27.dx

description: :unav
DOI: 10.18419/darus-1332/73
title: Na-ZSM-5 twice 25-100 1K, twice 100-450 5K.txt

description: :unav
DOI: 10.18419/darus-1332/74
title: note.txt

description: :unav
DOI: 10.18419/darus-1332/75
title: 200204S3_H[Al]SBA-15-AKB.pdf

description: :unav
DOI: 10.18419/darus-1332/76
title: T0462Al27-3.dx

description: :unav
DOI: 10.18419/darus-1332/77
title: T0448Na23-2.dx

description: :unav
DOI: 10.18419/darus-1332/78
title: T0459Al27-2.dx

description: :unav
DOI: 10.18419/darus-1332/79
title: T0461Na23-3.dx

description: :unav
DOI: 10.18419/darus-1332/80
title: T0462Al27-2.dx

description: :unav
DOI: 10.18419/darus-1332/81
title: H[Al]SBA-15 twice 25-100 1K, twice 100-450 5K.txt

description: :unav
DOI: 10.18419/darus-1332/82
title: T0446Na23-2.dx

description: :unav
DOI: 10.18419/darus-1332/83
title: 200207S1_Na[Al]SBA-15-AKB.pdf

description: :unav
DOI: 10.18419/darus-1332/84
title: H-ZSM-5_2 twice 25-100 1K, twice 100-450 5K.txt

description: :unav
DOI: 10.18419/darus-1332/85
title: T0467Si29-1.dx

description: :unav
DOI: 10.18419/darus-1332/86
title: note.txt

description: :unav
DOI: 10.18419/darus-1332/87
title: H-ZSM-5 25-100 1K, twice 100-450 5K.txt

description: :unav
DOI: 10.18419/darus-1332/88
title: SBA-15-AKB twice 25-100 1K, twice 100-450 5K.txt

description: :unav
DOI: 10.18419/darus-1332/89
title: Note.txt

description: :unav
DOI: 10.18419/darus-1332/90
title: T0416H1-6.dx

description: :unav
DOI: 10.18419/darus-1332/91
title: T0462Al27-1.dx

description: :unav
DOI: 10.18419/darus-1332/92
title: T0456H1-2.dx

description: :unav
DOI: 10.18419/darus-1332/93
title: H[Al]SBA-15_2 twice 25-100 1K, twice 100-450 5K.txt

description: :unav
DOI: 10.18419/darus-1332/94
title: BET results.xlsx

description: :unav
DOI: 10.18419/darus-1332/95
title: H[Al]SBA-15_2 twice 25-100 1K,100-450 5K.txt

description: :unav
DOI: 10.18419/darus-1332/96
title: T0404H1-1.dx

description: :unav
DOI: 10.18419/darus-1332/97
title: T0254H1-2.dx

description: :unav
DOI: 10.18419/darus-1332/98
title: T0460Na23-2.dx

description: :unav
DOI: 10.18419/darus-1332/99
title: Silicalite 25-100 1K, twice 100-450 5K.txt

description: :unav
DOI: 10.18419/darus-1332/100
title: S9952H1-2.dx

description: :unav
DOI: 10.18419/darus-1332/101
title: T0450Al27-3.dx

description: :unav
DOI: 10.18419/darus-1332/102
title: T0451Al27-3.dx

description: :unav
DOI: 10.18419/darus-1332/103
title: 190204S1_SBA-15-AKB.pdf

description: :unav
DOI: 10.18419/darus-1332/104
title: T0461Na23-2.dx

description: :unav
DOI: 10.18419/darus-1332/105
title: Silicalite.txt

description: :unav
DOI: 10.18419/darus-1332/106
title: T0299H1-2.dx

description: :unav
DOI: 10.18419/darus-1332/107
title: H[Al]SBA15-AKB2_145min.txt

description: :unav
DOI: 10.18419/darus-1332/108
title: Na-ZSM-5_2 25-100 1K, twice 100-450 5K.txt

description: :unav
DOI: 10.18419/darus-1332/109
title: S9869H1-2.dx

description: :unav
DOI: 10.18419/darus-1332/110
title: S9964H1-2.dx

description: :unav
DOI: 10.18419/darus-1332/111
title: T0466Si29-1.dx

description: :unav
DOI: 10.18419/darus-1332/112
title: S9974H1-2.dx

description: :unav
DOI: 10.18419/darus-1332/113
title: T0446Na23-1.dx

description: :unav
DOI: 10.18419/darus-1332/114
title: 191022S2_Na-ZSM-5.pdf

description: :unav
DOI: 10.18419/darus-1332/115
title: ICP of MFI and SBA-15.xlsx

description: :unav
DOI: 10.18419/darus-1332/116
title: T0460Na23-3.dx

description: :unav
DOI: 10.18419/darus-1332/117
title: BET+results.tab

description: Physisorption data in Table 1
DOI: 10.25824/redu/ulksue
title: tabela_escorpionismo.xlsx

description: Dados gerais dos atendimentos
DOI: 10.25824/redu/s42mwa
title: Características epidemiológicas e fatores de risco do acidente escorpiônico na região de abrangência do Centro de Informação e Assistência Toxicológica de Campinas

description: Dados dos pacientes que sofreram acidente escorpiônico, atendidos presencialmente pelo CIATox de Campinas, no período de 01 de janeiro de 2015 até 31 de dezembro de 2019.
DOI: 10.25934/pr00005825.0
title: Available IPD datapackage for study 'Safety and Immunogenicity Study of GSK Biologicals' Investigational Recombinant Chimpanzee Adenovirus Type 3-vectored Ebola Zaire Vaccine (GSK3390107A) in Adults in Africa'

description: The purpose of this study is to assess the safety and immunogenicity of the investigational ChAd3-EBO-Z vaccine administered to approximately 3 000 adults in Africa as a single IM dose Considering the risk of exposure to Ebola and the potential (based on animal data) for the investigational ChAd3-EBO-Z vaccine to afford at least partial protection, all subjects in the study will receive the investigational ChAd3-EBO-Z vaccine. The subjects in the Group EBO-Z will receive the vaccine at Day 0 of the study, whereas the subjects in the Group Placebo/ EBO-Z will receive a placebo at Day 0 (as a control) and will receive the investigational ChAd3-EBO-Z vaccine at Month 6, provided that no safety concerns are raised. In addition, vaccinating all subjects in the study with the investigational ChAd3 EBO Z vaccine will allow an increase of the safety database of the investigational vaccine. In case the geographic range of Ebola virus Zaire (EBOV) transmission expands to encompass any of the regions where this trial is conducted, earlier administration of the investigational ChAd3-EBO-Z vaccine to the subjects in the Group Placebo/ EBO-Z will be considered in that region.
DOI: 10.18419/darus-2119
title: Publication data of C1 group for: Quantitative Distinction between Noble Metals Located in Mesopores from those on the external Surface

description: All primary data files of measurements and processed data of the journal article mentioned under related publications from Dyballa group can be found here. Data from collaborating groups, especially the Kästner (C4) and the Schmitz group (C3), can be found in the same dataset. The dataset contains the measurement results from XRD, ICP-OES, H2-Chemisorption, N2-Physisorption, MAS-NMR, SEM and TEM. The NMR data (jcampdx-files) can be opened with, e.g., TopSpin software. The TEM images are recorded by the Schmitz group (C3) are stored in the folder "TEM". The file Simulation_data.tgz includes all relevant files from all theoretical calculations at DFT and semi-empirical GFN2-xTB level, geometry optimization and single-point energy calculations. Those data were provided by the Kästner group; Katrin Gugeler and Johannes Kästner. The additional information "parent" in the file names signifies that the materials are not modified by noble metals. The additional information "in" and "out" indicate that the materials are prepared in such a way that the noble metal nanoparticles are located mainly inside the pores ("in") or on the external surface ("out").
DOI: 10.18419/darus-2119/1
title: TEM_Fig5_MCM-41_parent.tif

description: :unav
DOI: 10.18419/darus-2119/2
title: XRD_Pt_SBA-15.txt

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DOI: 10.18419/darus-2119/3
title: TEM_Fig5_SBA-15_P123.tif

description: :unav
DOI: 10.18419/darus-2119/4
title: T0715P31.dx

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DOI: 10.18419/darus-2119/5
title: T0856P31.dx

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DOI: 10.18419/darus-2119/6
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DOI: 10.18419/darus-2119/7
title: SEM_MCM-41_1.tif

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DOI: 10.18419/darus-2119/8
title: XRD_Pt_SBA-15.raw

description: :unav
DOI: 10.18419/darus-2119/9
title: N2phys_MCM-41_saccharose.pdf

description: :unav
DOI: 10.18419/darus-2119/10
title: XRD_Pt_MCM-41.txt

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DOI: 10.18419/darus-2119/11
title: TEM_Fig5_SBA-15_parent.tif

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DOI: 10.18419/darus-2119/12
title: T0945P31.dx

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DOI: 10.18419/darus-2119/13
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title: T0949P31.dx

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DOI: 10.18419/darus-2119/15
title: SEM_MCM-41_2.tif

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DOI: 10.18419/darus-2119/16
title: TEM_Fig1_Pt_MCM-41_in_1.tif

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DOI: 10.18419/darus-2119/17
title: SEM_ASA_2.jpg

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DOI: 10.18419/darus-2119/18
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DOI: 10.18419/darus-2119/19
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DOI: 10.18419/darus-2119/20
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DOI: 10.18419/darus-2119/21
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DOI: 10.18419/darus-2119/22
title: T0923P31.dx

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DOI: 10.18419/darus-2119/23
title: N2phys_SBA-15_TEOS.pdf

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DOI: 10.18419/darus-2119/24
title: T0981P31.dx

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DOI: 10.18419/darus-2119/25
title: XRD_SBA15_calcined.txt

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DOI: 10.18419/darus-2119/29
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DOI: 10.18419/darus-2119/30
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DOI: 10.18419/darus-2119/31
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DOI: 10.18419/darus-2119/35
title: T0858P31.dx

description: :unav
DOI: 10.18419/darus-2119/36
title: TEM_Fig1_pt_MCM-41_in_2.tif

description: :unav
DOI: 10.18419/darus-2119/37
title: TEM_Fig5_MCM-41_saccharose.tif

description: :unav
DOI: 10.18419/darus-2119/38
title: T0594P31.dx

description: :unav
DOI: 10.18419/darus-2119/39
title: XRD_TEOS_MCM-41.raw

description: :unav
DOI: 10.18419/darus-2119/40
title: XRD_SBA15_calcined.raw

description: :unav
DOI: 10.18419/darus-2119/41
title: overviewNMR.txt

description: :unav
DOI: 10.18419/darus-2119/42
title: T0991P31.dx

description: :unav
DOI: 10.18419/darus-2119/43
title: T0950P31.dx

description: :unav
DOI: 10.18419/darus-2119/44
title: N2phys_MCM-41_TEOS.pdf

description: :unav
DOI: 10.18419/darus-2119/45
title: CR-0412+CR-0413.dx

description: :unav
DOI: 10.18419/darus-2119/46
title: SEM_SBA-15_1.tif

description: :unav
DOI: 10.18419/darus-2119/47
title: T0928P31.dx

description: :unav
DOI: 10.18419/darus-2119/48
title: XRD_MCM-41_calcined.txt

description: :unav
DOI: 10.18419/darus-2119/49
title: XRD_MCM-41_calcined.raw

description: :unav
DOI: 10.18419/darus-2119/50
title: XRD_TEOS_SBA-15.txt

description: :unav
DOI: 10.18419/darus-2119/51
title: N2phys_SBA-15_saccharose.pdf

description: :unav
DOI: 10.18419/darus-2119/52
title: XRD_Pt_MCM-41.raw

description: :unav
DOI: 10.18419/darus-2119/53
title: TEM_Fig5_MCM-41_TEOS.tif

description: :unav
DOI: 10.18419/darus-2119/54
title: T0750P31.dx

description: :unav
DOI: 10.18419/darus-2119/55
title: XRD_TEOS_MCM-41.txt

description: :unav
DOI: 10.18419/darus-2119/56
title: T0533P31.dx

description: :unav
DOI: 10.18419/darus-2119/57
title: TEM_Fig1_Pt_MCM-41_out_1.tif

description: :unav
DOI: 10.18419/darus-2119/58
title: TEM_Fig5_SBA-15_TEOS.tif

description: :unav
DOI: 10.18419/darus-2119/59
title: TEM_Fig5_SBA-15_saccharose.tif

description: :unav
DOI: 10.18419/darus-2119/60
title: T0952P31.dx

description: :unav
DOI: 10.18419/darus-2119/61
title: T0963P31.dx

description: :unav
DOI: 10.18419/darus-2119/62
title: T0642P31.dx

description: :unav
DOI: 10.18419/darus-2119/63
title: SEM_ASA_1.jpg

description: :unav
DOI: 10.18419/darus-2119/64
title: T0840P31.dx

description: :unav
DOI: 10.18419/darus-2119/65
title: T0529P31.dx

description: :unav
DOI: 10.18419/darus-2119/66
title: T0556P31.dx

description: :unav
DOI: 10.18419/darus-2119/67
title: TEM_S7_PtA200_2.tif

description: :unav
DOI: 10.18419/darus-2119/68
title: TEM_S7_PtA200_1.tif

description: :unav
DOI: 10.18419/darus-2119/69
title: TEM_Fig1_Pt_MCM-41_out_2.tif

description: :unav
DOI: 10.18419/darus-2119/70
title: N2phys_SBA-15.pdf

description: :unav
DOI: 10.18419/darus-2119/71
title: N2phys_MCM-41.pdf

description: :unav
DOI: 10.18419/darus-2119/72
title: Simulation_data.tgz

description: This dataset includes all relevant files from all theoretical calculations at DFT level and semi-empirical GFN2-xTB level. The DFT-calculations were done with Turbomole, the results are in the folder "opt_b3lyp". Results from conformer-variation with GFN2-xTB can be found in the folder "crest". In the folder "spe" single-point energy calculations are listed.
DOI: 10.18419/darus-2119/73
title: H2chem_0.9Rh_A200.crw

description: :unav
DOI: 10.18419/darus-2119/74
title: H2chem_0.8Pt_SBA-15_in.crw

description: :unav
DOI: 10.18419/darus-2119/75
title: H2chem_0.7Pt_MCM-41_out.txt

description: :unav
DOI: 10.18419/darus-2119/76
title: H2chem_0.7Pt_MCM-41_out.crw

description: :unav
DOI: 10.18419/darus-2119/77
title: H2chem_1.6Pt_A200.txt

description: :unav
DOI: 10.18419/darus-2119/78
title: H2chem_0.9Rh_A200.txt

description: :unav
DOI: 10.18419/darus-2119/79
title: H2chem_0.8Pt_SBA-15_in.txt

description: :unav
DOI: 10.18419/darus-2119/80
title: H2chem_1.0Pt_MCM-41_in.crw

description: :unav
DOI: 10.18419/darus-2119/81
title: H2chem_1.1Pd_A200.crw

description: :unav
DOI: 10.18419/darus-2119/82
title: H2chem_1.6Pt_A200.crw

description: :unav
DOI: 10.18419/darus-2119/83
title: H2chem_1.1Pd_A200.txt

description: :unav
DOI: 10.18419/darus-2119/84
title: H2chem_1.0Pt_MCM-41_in.txt

description: :unav
DOI: 10.18419/darus-2119/85
title: ICP-OES_0.8Pt_SBA15_in.xlsx

description: :unav