Zobrazeno 1 - 10
of 31
pro vyhledávání: '"Steven Lopez"'
Publikováno v:
Justice Quarterly. :1-24
Publikováno v:
Criminology. 60:637-666
Autor:
Jingbai Li, Steven Lopez
Machine learning (ML) continues to revolutionize computational chemistry by accelerating predictions and simulations by training on experimental or accurate but expensive quantum chemical (QC) calculations. Photodynamics simulations require hundreds
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2e639f9248a30fb39c92749cdbcfc7dc
https://doi.org/10.26434/chemrxiv-2023-v13tv
https://doi.org/10.26434/chemrxiv-2023-v13tv
Autor:
Qiang Sun, Nicholas Oliveira, Sergiy Tyukhtenko, Jason Guo, Nathalie Myrthil, Steven Lopez, Ian Kendrick, Sanjeev Mukerjee, Lu Ma, Steven Ehrlich, Jingkun Li, Yushan Yan, Qingying Jia, William A. Goddard III, Soonho Kwon
A grand challenge in electrochemistry is to understand and promote electrochemical processes by exploring and exploiting the interface. Herein, we promoted the hydrogen evolution and oxidation reactions (HER/HOR) of platinum (Pt) in base by introduci
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c59f44b76430ba9e930ac0dfc808a806
https://doi.org/10.26434/chemrxiv-2021-gks2k-v2
https://doi.org/10.26434/chemrxiv-2021-gks2k-v2
Autor:
Daniel Adrion, Steven Lopez
Azoarenes are an important class of molecular photoswitches that often undergo E➝Z isomerization with ultraviolet light and have short Z-isomer lifetimes. We performed density functional theory calculations [PBE0-D3BJ/6-31+G(d,p)] on 26 hemi-azothi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e52c4c4bdb2ce77d15052d9054f24712
https://doi.org/10.26434/chemrxiv-2023-gz995
https://doi.org/10.26434/chemrxiv-2023-gz995
Tuning strained alkyne reactivity via organic synthesis has evolved into a burgeoning field of study largely focused on cyclooctyne, wherein physical organic chemistry helps guide rational molecular design to produce molecules with intriguing propert
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::062ad4b540b25bb68c11883d00018a28
https://doi.org/10.26434/chemrxiv-2022-j7hnd
https://doi.org/10.26434/chemrxiv-2022-j7hnd
Gas-evolving photochemical reactions use mild conditions to access strained organic compounds irreversibly. Cyclopropenones are a class of pseudo-aromatic light-responsive molecules used in bioorthogonal photoclick reactions; their excited-state deca
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9fab7cd50cee3f318be77181310747fc
https://doi.org/10.26434/chemrxiv-2022-14tkm
https://doi.org/10.26434/chemrxiv-2022-14tkm
Storing solar energy is a vital component of using renewable energy sources to meet the growing demands of the global energy economy. Molecular solar thermal (MOST) energy storage is a promising means to store solar energy with on-demand energy relea
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::953f637f02792cb04aff9204cf1f46ea
https://doi.org/10.26434/chemrxiv-2022-w3x91-v2
https://doi.org/10.26434/chemrxiv-2022-w3x91-v2
Autor:
Shalisa Oburn, Steven Huss, Jordan Cox, Margaret Gerthoffer, Sikai Wu, Arani Biswas, Morgan Murphy, Vincent Crespi, John Badding, Steven Lopez, Elizabeth Elacqua
Nanothreads are an emerging one-dimensional sp3-hybridized material with high predicted tensile strength and a tunable band gap. They can be synthesized by compressing aromatic, or non-aromatic small molecules under 15-30 GPa of pressure. Recently, n
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::462b1ac0fc3b711ad09b2bde05136a62
https://doi.org/10.26434/chemrxiv-2022-qzvh2
https://doi.org/10.26434/chemrxiv-2022-qzvh2
Publikováno v:
Crime & Delinquency. :001112872211408
We inquire whether commitment to employment has an immediate suppressive effect (i.e., in the next month) on street crime. Analysis of retrospective monthly calendar data drawn from a random sample of prisoners reveals that it does not. In contrast,