User profiles for G. McCarver
Gavin McCarverResearch Chemist Verified email at nist.gov Cited by 146 |
Computational catalysis for metal-organic frameworks: An overview
Metal-organic frameworks (MOFs), a family of porous hybrid organic/inorganic materials,
have shown great promise for many challenging chemical applications including gas …
have shown great promise for many challenging chemical applications including gas …
[HTML][HTML] Polymer graph neural networks for multitask property learning
O Queen, GA McCarver, S Thatigotla… - npj Computational …, 2023 - nature.com
… We demonstrate the generality of this model in its ability to predict T g and IV as single tasks
as well as both T g and IV in a multitask learning framework. PolymerGNN outperforms other …
as well as both T g and IV in a multitask learning framework. PolymerGNN outperforms other …
Multivariate flexible framework with high usable hydrogen capacity in a reduced pressure swing process
… , 4.1 mmol/g adsorbed at 26.2 bar for the isotherm at 77 K at and 2.8 mmol/g adsorbed at 30.5
… is steepest is consistent for both isotherms at 9.0 mmol/g adsorbed (at 36 and 70 bar for 77 …
… is steepest is consistent for both isotherms at 9.0 mmol/g adsorbed (at 36 and 70 bar for 77 …
NTP‐CERHR expert panel report on the developmental toxicity of soy infant formula
G McCarver, J Bhatia, C Chambers… - … Research Part B …, 2011 - Wiley Online Library
Soy infant formula contains soy protein isolates and is fed to infants as a supplement to or
replacement for human milk or cow milk. Soy protein isolates contains estrogenic isoflavones (…
replacement for human milk or cow milk. Soy protein isolates contains estrogenic isoflavones (…
The ontogeny of human drug-metabolizing enzymes: phase I oxidative enzymes
RN Hines, DG McCarver - Journal of Pharmacology and Experimental …, 2002 - ASPET
Although some patterns are beginning to emerge, our knowledge of human phase I drug-metabolizing
enzyme developmental expression remains far from complete. Expression has …
enzyme developmental expression remains far from complete. Expression has …
The ontogeny of human drug-metabolizing enzymes: phase II conjugation enzymes and regulatory mechanisms
DG McCarver, RN Hines - Journal of Pharmacology and Experimental …, 2002 - ASPET
Changes in phase II drug-metabolizing enzyme expression during development, as well as
the balance between phase I and phase II enzymes, can significantly alter the …
the balance between phase I and phase II enzymes, can significantly alter the …
A PEGylated Tin Porphyrin Complex for Electrocatalytic Proton Reduction: Mechanistic Insights into Main‐Group‐Element Catalysis
Electrocatalytic proton reduction to form dihydrogen (H 2 ) is an effective way to store
energy in the form of chemical bonds. In this study, we validate the applicability of a main‐group‐…
energy in the form of chemical bonds. In this study, we validate the applicability of a main‐group‐…
Electrocatalytic dechlorination of dichloromethane in water using a heterogenized molecular copper complex
… After the addition of a solution of tetrabutylammonium hexafluorophosphate (0.63 g, 1.6 … 4
and rotary evaporated to afford a light green powder (0.77 g, 37%). H NMR (400 MHz, CDCl 3 )…
and rotary evaporated to afford a light green powder (0.77 g, 37%). H NMR (400 MHz, CDCl 3 )…
Electrocatalytic Hydrogen Evolution Using A Molecular Antimony Complex under Aqueous Conditions: An Experimental and Computational Study on Main‐Group …
CK Williams, GA McCarver… - … A European Journal, 2022 - Wiley Online Library
… step (▵G H ) is used as the key indicator in the study of the HER kinetics, as it is known that
as ▵G approaches zero, the Volmer step of the HER becomes more spontaneous. ▵G H can …
as ▵G approaches zero, the Volmer step of the HER becomes more spontaneous. ▵G H can …
Direct Identification of Mixed-Metal Centers in Metal–Organic Frameworks: Cu3(BTC)2 Transmetalated with Rh2+ Ions
…, O Ejegbavwo, G McCarver… - The Journal of …, 2020 - ACS Publications
… broad isotropic signal centered at g = 2.17, which is … with a very small peak at g = 2.00
appearing most likely from … also shows a new sharp signal centered at g = 2.13. This new peak for …
appearing most likely from … also shows a new sharp signal centered at g = 2.13. This new peak for …