cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.4671999
title: A time-resolved paleomagnetic record of Main Group pallasites: Evidence for a Psyche-like parent body

description: Several paleomagnetic studies have been conducted on five main group pallasites: Brenham, Marjalahti, Springwater, Imilac and Esquel. These pallasites have distinct cooling histories, meaning that their paleomagnetic records may have been acquired at different times during the thermal evolution of their parent body. Here we compile new and existing data to present the most complete time-resolved paleomagnetic record for a planetesimal, which includes a period of quiescence prior to core solidification as well as dynamo activity generated by compositional convection during core solidification. We present new paleomagnetic data for the Springwater pallasite, which constrains the timing of core solidification. Our results suggest that in order to generate the observed strong paleointensities (~ 65 - 95 µT), the pallasites must have been relatively close to the dynamo source. Our thermal and dynamo models predict that the main group pallasites originate from a planetesimal with a large core (&gt; 200 km) and a thin mantle (&lt; 70 km). The density of our model large-cored planetesimals is similar to the predicted density of the asteroid (16) Psyche. We therefore suggest that it is plausible that the main group pallasites originated from a Psyche-like parent body.
DOI: 10.6084/m9.figshare.14387504
title: Dataset 14. ¿Es posible realizar actividades en K-12 que permitan conocer los principios de la IA explicable?

description: Resultados de 9 artículos.
DOI: 10.25646/8305
title: Tagesdaten-CSV aus dem DIVI-Intensivregister

description: Die Tagesdaten-CSV entspricht einem Auszug der Daten des DIVI-Intensivregisters. Die Datei enthält eine Aggregation der aktuellsten Meldungen pro Landkreis. Es werden die aktuell gemeldeten Anzahlen der COVID-19 Intensivfälle sowie die gemeldeten intensivmedizinischen Behandlungskapazitäten angezeigt. Die Tagesdaten-CSV liefert dabei ausschließlich einen Blick auf die Daten gemäß dem Stand des betrachteten Tages. Die Daten sind im situationsbedingten Kontext aufbereitet, damit sind verschiedene Tagesdaten-CSVs u.U. nicht direkt miteinander vergleichbar. Die aktuellsten Meldungen werden im gewählten Betrachtungszeitfenster über alle Meldebereiche und Standorte aufsummiert. Weitere Informationen sind zu finden unter https://www.intensivregister.de/#/faq
DOI: 10.5281/zenodo.4671263
title: Audio Caption Hospital Dataset

description: This dataset consists of the Hospital scene of our Audio Caption dataset. Details can be seen in our paper Audio Caption: Listen and Tell published at ICASSP2019.
DOI: 10.14469/hpc/7326
title: Supplementary Material for "Cretaceous to Recent Net Continental Uplift from Paleobiological Data: Insights into Sub-Plate Support"

description: This Supplementary Material contains additional text, five figures and three tables. The first section contains a description of the data used and generated by this study. These data are included separately as text files. The next section contains Tables S1 and S2, which show a comparison of paleobathymetric models, and a benchmark of environments from the Paleobiology Database (PaleoDB) against other paleoenvironmental analyses. The Figures S1 and S2 show the sea-level curves used in this study, and histograms of minimum, mean and maximum paleobathymetries. Figures S3 and S4 show geophysical data from western North America and the Borborema Province, Brazil. The final section expands on the methodology and parameters used to calculated topographic support, and includes Figure S5 and Table S3.
DOI: 10.5517/ccdc.csd.cc26l173
title: CCDC 2043124: Experimental Crystal Structure Determination

description: Related Article: Da-Wei Fu, Ji-Xing Gao, Pei-Zhi Huang, Rui-Ying Ren, Ting Shao, Li-Jun Han, Jia Liu, Jun-Miao Gong|2021|Angew.Chem.,Int.Ed.|60|8198|doi:10.1002/anie.202015219
DOI: 10.14469/hpc/7328
title: Willgerodt-Kindler Int5 -1338.145166 DG = 34.2

description: Gaussian Calculation
DOI: 10.14469/hpc/7332
title: 1A. TPSSh/6-31G Nstates=50

description: Gaussian Calculation
DOI: 10.14469/hpc/7333
title: 1A. Optrot TPSSh/6-31G 436nm 589nm 800nm 880nm

description: Gaussian Calculation
DOI: 10.14469/hpc/7334
title: 1A. Optrot wB97XD/6-31G 436nm 589nm 800nm 880nm

description: Gaussian Calculation
DOI: 10.14469/hpc/7335
title: Willgerodt-Kindler TS3 Full + NH3 G = -1338.106413 DG = 58.6 IRC

description: Gaussian Calculation
DOI: 10.14469/hpc/7337
title: Willgerodt-Kindler Int4 Full + NH3 G -1338.165713

description: Gaussian Calculation
DOI: 10.14469/hpc/7345
title: NMR Data

description: NMR data of compounds isolated in the manuscript
DOI: 10.14469/hpc/7346
title: Computational Coordinates

description: Computational coordinates of DFT optimised strucutres (.xyz) and IRC files used in activation strain analysis.
DOI: 10.14469/hpc/7353
title: Willgerodt-Kindler TS4 (open) Full + NH3 G = -1338.138833 IRC step=25

description: Gaussian Calculation
DOI: 10.14469/hpc/7355
title: Willgerodt-Kindler TS5 G = -1338.104958

description: Gaussian Calculation
DOI: 10.14469/hpc/7357
title: Willgerodt-Kindler TS7 Full + NH3 G = -1338.173280 DG =16.6 IRC

description: Gaussian Calculation
DOI: 10.14469/hpc/7364
title: Willgerodt-Kindler TS6 E = -1338.45692241

description: Gaussian Calculation
DOI: 10.14469/hpc/7365
title: Exploiting the power of persistent identifiers (PIDs) for locating all kinds of research object.
DOI: 10.14469/hpc/7369
title: Willgerodt-Kindler TS8: Int5 to Int4 G = -1338.144023

description: Gaussian Calculation
DOI: 10.14469/hpc/7372
title: Willgerodt-Kindler TS8: Int5 to Int4 G = -1338.144023 IRC

description: Gaussian Calculation
DOI: 10.14469/hpc/7373
title: Willgerodt-Kindler Int7 G = -1338.197306

description: Gaussian Calculation
DOI: 10.14469/hpc/7377
title: Willgerodt-Kindler TS10 G = -1338.140926

description: Gaussian Calculation
DOI: 10.14469/hpc/7380
title: NMR Spectra

description: 1H, 13C, 11B NMR spectra for compounds 3a-c, 4
DOI: 10.14469/hpc/7381
title: Coordinates file for DFT calculated structures

description: Coordinate (.xyz) file for the DFT calculated structures of compounds: 3a-c, 4, A, S5-S8
DOI: 10.14469/hpc/7382
title: Willgerodt-Kindler TS9 G = -1338.141010

description: Gaussian Calculation
DOI: 10.14469/hpc/7386
title: The Willgerodt-Kindler reaction. Completing the Box set.
DOI: 10.14469/hpc/7388
title: Willgerodt-Kindler TS9: IRC forward 35 =&gt; Int4

description: Gaussian Calculation
DOI: 10.14469/hpc/7389
title: Willgerodt-Kindler TS9: IRC reverse 35 =&gt; Int7

description: Gaussian Calculation
DOI: 10.14469/hpc/7391
title: Willgerodt-Kindler TS10 G = -1338.140926 IRC =&gt; Int7 (forward)

description: Gaussian Calculation
DOI: 10.14469/hpc/7392
title: Willgerodt-Kindler TS4 Full + NH3 G = -1338.138833 =&gt; Opt G = -1338.137787

description: Gaussian Calculation
DOI: 10.14469/hpc/7393
title: Willgerodt-Kindler TS4 Full + NH3 G = -1338.138833 =&gt; Opt1 G = -1338.136346

description: Gaussian Calculation
DOI: 10.14469/hpc/7395
title: Willgerodt-Kindler Int7 G = -1338.195979

description: Gaussian Calculation
DOI: 10.14469/hpc/7396
title: Willgerodt-Kindler TS10 G = -1338.140926 IRC =&gt; Int7 (reverse)

description: Gaussian Calculation
DOI: 10.6084/m9.figshare.14387009
title: Understanding health care-seeking behaviour of the tribal population in India among those with presumptive TB symptoms

description: Delayed healthcare-seeking behaviour among those with symptoms presumptive of TB in the tribal population is a major concern. Findings point to differences across gender about symptoms that prompt care-seeking in this population. Gender-sensitive interventions with health system strengthening are urgently needed to facilitate early diagnosis and treatment among this population.
DOI: 10.14469/hpc/7397
title: Willgerodt-Kindler TS10 + N-Morpholine as base G = -1569.399427

description: Gaussian Calculation
DOI: 10.6084/m9.figshare.14387009.v2
title: Understanding health care-seeking behaviour of the tribal population in India among those with presumptive TB symptoms

description: Delayed healthcare-seeking behaviour among those with symptoms presumptive of TB in the tribal population is a major concern. Findings point to differences across gender about symptoms that prompt care-seeking in this population. Gender-sensitive interventions with health system strengthening are urgently needed to facilitate early diagnosis and treatment among this population.
DOI: 10.6084/m9.figshare.14387009.v1
title: Understanding health care-seeking behaviour of the tribal population in India among those with presumptive TB symptoms

description: Delayed healthcare-seeking behaviour among those with symptoms presumptive of TB in the tribal population is a major concern. Findings point to differences across gender about symptoms that prompt care-seeking in this population. Gender-sensitive interventions with health system strengthening are urgently needed to facilitate early diagnosis and treatment among this population.
DOI: 10.14469/hpc/7400
title: Willgerodt-Kindler Reactant + N-Morpholine as base G = -1569.452902

description: Gaussian Calculation
DOI: 10.14469/hpc/7417
title: Willgerodt-Kindler TS4 + N-Morpholine as base G = -1569.395587 DG = 36.0

description: Gaussian Calculation
DOI: 10.14469/hpc/7420
title: [14] annulene, two electrocyclic reactions or one cycloaddition reaction, exo

description: Gaussian Calculation
DOI: 10.14469/hpc/7421
title: [14] annulene, two electrocyclic reactions or one cycloaddition reaction? Endo G = -541.815781

description: Gaussian Calculation
DOI: 10.14469/hpc/7422
title: [16] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+4a

description: Gaussian Calculation
DOI: 10.14469/hpc/7424
title: [14] annulene, two electrocyclic reactions or one cycloaddition reaction, exo IRC

description: Gaussian Calculation
DOI: 10.14469/hpc/7426
title: [10]-annulene, two electrocyclisations or one cycloaddition? Endo G = -386.903873

description: Gaussian Calculation
DOI: 10.14469/hpc/7428
title: [10]-annulene, two electrocyclisations or one cycloaddition? Exo, WFN

description: Gaussian Calculation
DOI: 10.14469/hpc/7429
title: [16] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+4a WFN

description: Gaussian Calculation
DOI: 10.14469/hpc/7430
title: [10]-annulene, two electrocyclisations or one cycloaddition? Endo NICS

description: Gaussian Calculation
DOI: 10.14469/hpc/7431
title: Supplementary Data: Kisspeptin and Brain Response to Food in Men

description: Includes: Supplementary Figure 1 and Supplementary Table 1
DOI: 10.14469/hpc/7432
title: [10]-annulene, two electrocyclisations or one cycloaddition? Exo, NICS

description: Gaussian Calculation
DOI: 10.14469/hpc/7433
title: [16] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+4a NICS

description: Gaussian Calculation
DOI: 10.14469/hpc/7435
title: [14] annulene, two electrocyclic reactions or one cycloaddition reaction, Endo WFN

description: Gaussian Calculation
DOI: 10.14469/hpc/7436
title: [14] annulene, two electrocyclic reactions or one cycloaddition reaction, exo WFN

description: Gaussian Calculation
DOI: 10.14469/hpc/7437
title: [14] annulene, two electrocyclic reactions or one cycloaddition reaction, Endo NICS

description: Gaussian Calculation
DOI: 10.14469/hpc/7438
title: [14] annulene, two electrocyclic reactions or one cycloaddition reaction, Exo NICS

description: Gaussian Calculation
DOI: 10.14469/hpc/7439
title: Supplementary Data: NT-814, a Non-Hormonal Neurokinin 1,3 Receptor Antagonist, Reduces LH, Estradiol and Progesterone in Healthy Women

description: Supplementary Data: Figure 1A and Figure 1B
DOI: 10.14469/hpc/7441
title: [12] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+4a

description: Gaussian Calculation
DOI: 10.14469/hpc/7443
title: [12] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+4a NICS

description: Gaussian Calculation
DOI: 10.14469/hpc/7444
title: [12] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+4a saddle=2

description: Gaussian Calculation
DOI: 10.14469/hpc/7445
title: [12] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+4a saddle=2 wfn

description: Gaussian Calculation
DOI: 10.14469/hpc/7446
title: [12] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+4a saddle=2 NICS

description: Gaussian Calculation
DOI: 10.14469/hpc/7447
title: Supplementary data file

description: Age-(sero)prevalence data, extracted from a systematic literature search, for porcine cysticercosis used in Dixon et al. 2020 (Scientific Reports).
DOI: 10.14469/hpc/7448
title: [16] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+4a IRC

description: Gaussian Calculation
DOI: 10.14469/hpc/7449
title: [10]-annulene, two electrocyclisations or one cycloaddition? Endo, IRC

description: Gaussian Calculation
DOI: 10.14469/hpc/7450
title: [12] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+4a IRC

description: Gaussian Calculation
DOI: 10.14469/hpc/7451
title: [12] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+4a saddle=2 IRC

description: Gaussian Calculation
DOI: 10.14469/hpc/7452
title: [18] annulene, two electrocyclic reactions or one cycloaddition reaction, saddle=2

description: Gaussian Calculation
DOI: 10.14469/hpc/7454
title: [18] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+2s, saddle=2 NICS

description: Gaussian Calculation
DOI: 10.14469/hpc/7455
title: [20] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+4a saddle=3 wfn

description: Gaussian Calculation
DOI: 10.14469/hpc/7456
title: [20] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+4a saddle=3

description: Gaussian Calculation
DOI: 10.14469/hpc/7457
title: [18] annulene, two electrocyclic reactions or one cycloaddition reaction, TS

description: Gaussian Calculation
DOI: 10.14469/hpc/7459
title: [18] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+2s, endo saddle=2

description: Gaussian Calculation
DOI: 10.14469/hpc/7460
title: [18] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+2s, endo saddle=1

description: Gaussian Calculation
DOI: 10.14469/hpc/7462
title: [18] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+2s, endo saddle=2 NICS

description: Gaussian Calculation
DOI: 10.14469/hpc/7463
title: [18] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+2s, endo saddle=1 wfn

description: Gaussian Calculation
DOI: 10.14469/hpc/7464
title: [18] annulene, two electrocyclic reactions or one cycloaddition reaction, 4s+2s, endo saddle=1 NICS

description: Gaussian Calculation
DOI: 10.14469/hpc/7465
title: [18] annulene, two electrocyclic reactions or one cycloaddition reaction, exo, saddle=1 WFN

description: Gaussian Calculation
DOI: 10.14469/hpc/7466
title: [18] annulene, two electrocyclic reactions or one cycloaddition reaction, exo, saddle=1 NICS

description: Gaussian Calculation
DOI: 10.14469/hpc/7500
title: The Chemistry of the Book of Kells
DOI: 10.14469/hpc/7502
title: The Chemistry of the Book of Kells
DOI: 10.14469/hpc/7504
title: Lapis Lazuli
DOI: 10.14469/hpc/7509
title: The discovery of Mauveine. More sources and links
DOI: 10.14469/hpc/7522
title: The (long) journey from supporting information to Publishing and Finding FAIR data in chemistry
DOI: 10.14469/hpc/7523
title: The (long) journey from supporting information to Publishing and Finding FAIR data in chemistry
DOI: 10.6084/m9.figshare.14387537
title: Fast LiDAR systems based on ferroelectric liquid crystal Dammann grating

description: This article reveals a ferroelectric liquid crystal Dammann grating (FLCDG) based polarisation-modulation system for three-dimensional imaging (3D-imaging) device, which seriously increases the detection speed for Light Detection and Ranging (LiDAR). Innovatively the FLC modulator with FLCDG that offers a high-speed shutter having frame frequency &gt;50k frames/s. The proposed FLCDG replaces the iterative scanning and enables LiDAR as a one-shot capturing system. The proposed device shows a fast-switching speed (~5 μs) and precisely detects the translational as well as the rotational movement. Furthermore, low fabrication cost, lightweight, and small size make this device perfectly suitable modern LiDARs, particularly for short distances.
DOI: 10.6084/m9.figshare.14387537.v1
title: Fast LiDAR systems based on ferroelectric liquid crystal Dammann grating

description: This article reveals a ferroelectric liquid crystal Dammann grating (FLCDG) based polarisation-modulation system for three-dimensional imaging (3D-imaging) device, which seriously increases the detection speed for Light Detection and Ranging (LiDAR). Innovatively the FLC modulator with FLCDG that offers a high-speed shutter having frame frequency &gt;50k frames/s. The proposed FLCDG replaces the iterative scanning and enables LiDAR as a one-shot capturing system. The proposed device shows a fast-switching speed (~5 μs) and precisely detects the translational as well as the rotational movement. Furthermore, low fabrication cost, lightweight, and small size make this device perfectly suitable modern LiDARs, particularly for short distances.
DOI: 10.14469/hpc/7530
title: Vchemlib
DOI: 10.14469/hpc/7532
title: CFe(CO)3 C3v Wiberg

description: Gaussian Calculation
DOI: 10.14469/hpc/7533
title: NMn(CO)3 C3v Wiberg

description: Gaussian Calculation
DOI: 10.14469/hpc/7534
title: OCr(CO)3 Wiberg

description: Gaussian Calculation
DOI: 10.14469/hpc/7535
title: BCo(CO)3 Wiberg

description: Gaussian Calculation
DOI: 10.14469/hpc/7538
title: CFe(CO)3 C3v Wiberg triplet E = -1641.56561986

description: Gaussian Calculation
DOI: 10.14469/hpc/7539
title: NFe(CO)3 (+)

description: Gaussian Calculation
DOI: 10.14469/hpc/7540
title: NMn(CO)3 C3v Wiberg triplet E = -1545.57666884

description: Gaussian Calculation
DOI: 10.14469/hpc/7541
title: NFe(CO)3 (+) Wiberg

description: Gaussian Calculation
DOI: 10.14469/hpc/7542
title: BFe(CO)3 Wiberg (-) G = -1628.451911, 2* = -3,256.903822

description: Gaussian Calculation
DOI: 10.6084/m9.figshare.14387534
title: Dataset 15. ¿Qué se comenta en relación con la equidad de género en la enseñanza de la IA?

description: Resultados de 10 artículos.
DOI: 10.6084/m9.figshare.14387534.v1
title: Dataset 15. ¿Qué se comenta en relación con la equidad de género en la enseñanza de la IA?

description: Resultados de 10 artículos.
DOI: 10.14469/hpc/7543
title: High pressure adsorption data on micro-mesoporous solids

description: High pressure adsorption data measured on: - zeolitic imidazolate framework (ZIF, Basolite Z1200 or ZIF-8, CAS Number 59061-53-9) - graphitised mesoporous carbon (MC, CAS Number 1333- 86-4) - mesoporous zeolite (MZ, non-commercial hierarchical ZSM-5) The experiments have been carried out at a temperature of 308 K in a gravimetric magnetic suspension balance. Details on the experimental procedure are described in the publication associated with this data set. Information about the textural properties of each adsorbent are also provided in the same publication. Each files contains 6 columns, namely pressure (bar), bulk fluid density (mol/L), excess amount adsorbed (mmol/g), uncertainty of excess amount adsorbed (mmol/g), net amount adsorbed (mmol/g), uncertainty of net amount adsorbed (mmol/g).
DOI: 10.14469/hpc/7545
title: CRu(CO)3 Wiberg

description: Gaussian Calculation
DOI: 10.14469/hpc/7546
title: SiFe(CO)3 Wiberg

description: Gaussian Calculation
DOI: 10.14469/hpc/7547
title: PMn(CO)3 C3v Wiberg

description: Gaussian Calculation
DOI: 10.14469/hpc/7548
title: (CO)3FeCCFe(CO)3 dimer D3d G = -3283.214361 (-3,283.233872) +12.2

description: Gaussian Calculation
DOI: 10.14469/hpc/7549
title: Development and validation of a prediction model for invasive bacterial infections in febrile children at the European Emergency Departments: MOFICHE a prospective observational study

description: MOFICHE_may2019_imp_def.xlsx: Sheets: MOFICHE_may2019_imp_ibi: dataset containing individual participant data. This data is anonymised and does not contain any identifiable data. This dataset is the multiple imputed dataset (20 times); Codebook: Codebook of dataset: description of variables and values
DOI: 10.14469/hpc/7550
title: CMn(CO)3 C3v (-) G = -1528.962187 *2 = -3,057.924374

description: Gaussian Calculation
DOI: 10.14469/hpc/7551
title: (CO)3FeBBFe(CO)3 2- dimer G = -3256.847904v DG = +35.1

description: Gaussian Calculation
DOI: 10.14469/hpc/7555
title: CCoCp C5v G = -1614.104648

description: Gaussian Calculation
DOI: 10.14469/hpc/7556
title: NFeCp C5v

description: Gaussian Calculation
DOI: 10.14469/hpc/7557
title: NMn(CO)3 C3v G = -1545.612921 *2 = -3,091.225842

description: Gaussian Calculation
DOI: 10.14469/hpc/7558
title: (CO)3MnNNMn(CO)3 dimer G = -3091.324129

description: Gaussian Calculation
DOI: 10.14469/hpc/7559
title: Lewis Structure Calculations Nov 2020

description: Calculated xyz structure files.
DOI: 10.14469/hpc/7561
title: CpCoCCCoCP dimer Cs G = -3228.336872 (-80.0)

description: Gaussian Calculation
DOI: 10.14469/hpc/7564
title: CpFeNNFeCp dimer Cs G = -3023.604757 (-68.5)

description: Gaussian Calculation
DOI: 10.14469/hpc/7565
title: CpFeNNFeCp dimer C2v G = -3023.602924 (-3,023.495514)

description: Gaussian Calculation
DOI: 10.14469/hpc/7566
title: CpCoCCCoCP dimer C2v G = -3228.336036

description: Gaussian Calculation
DOI: 10.14469/hpc/7567
title: Cl3AlClCN + benzene, TS E = -2408.52423023 G = -2408.454098

description: Gaussian Calculation
DOI: 10.14469/hpc/7569
title: Cl3AlClCN + benzene, TS E = -2408.52423023 G = -2408.454098 IRC

description: Gaussian Calculation
DOI: 10.14469/hpc/7571
title: l3AlClCN + benzene, Reactant G = -2408.528006 Dg = 46.4

description: Gaussian Calculation
DOI: 10.14469/hpc/7575
title: NNCFe(CO)3 C3v

description: Gaussian Calculation
DOI: 10.14469/hpc/7576
title: Cl6Al2.ClCN Product G = -4031.868882

description: Gaussian Calculation
DOI: 10.14469/hpc/7578
title: IC9_SS_sulfox1amine7_CD

description: Gaussian Calculation
DOI: 10.14469/hpc/7579
title: GBC323_RR_coref7_het4_CD

description: Gaussian Calculation
DOI: 10.14469/hpc/7581
title: Cl6Al2. TS G = -4031.771597 DG = 48.5

description: Gaussian Calculation
DOI: 10.14469/hpc/7585
title: CN(+) G = -92.275693 (Vs -2408.528006 for ClCN)

description: Gaussian Calculation
DOI: 10.14469/hpc/7586
title: Cl3AlCl (-) + benzene G = -2315.948091 == -2,408.223784 === DG 190.9

description: Gaussian Calculation
DOI: 10.14469/hpc/7587
title: Cl6Al2. TS IRC

description: Gaussian Calculation
DOI: 10.14469/hpc/7588
title: Cl6Al2. Reactant

description: Gaussian Calculation
DOI: 10.14469/hpc/7603
title: Cl6Al2. BCl3 to N G = -4031.815767 DG = 20.8 kcal/mol

description: Gaussian Calculation
DOI: 10.6084/m9.figshare.14387519.v1
title: Tabla 4: Análisis de los estudios seleccionados

description: Tabla 4: <i>Análisis de los estudios seleccionados</i>.<br>Fuente: Elaboración propia a partir de Doyle, Lennox y Bell, 2018.En la última columna se encuentra la asociación / no asociación (A/NA). Las filas marcadas en gris corresponden a los estudios cuyo foco es la comunicación.
DOI: 10.6084/m9.figshare.14387519
title: Tabla 4: Análisis de los estudios seleccionados

description: Tabla 4: <i>Análisis de los estudios seleccionados</i>.<br>Fuente: Elaboración propia a partir de Doyle, Lennox y Bell, 2018.En la última columna se encuentra la asociación / no asociación (A/NA). Las filas marcadas en gris corresponden a los estudios cuyo foco es la comunicación.