Publications by authors named "Clarisa E Castillo"

Article Synopsis
  • The study predicts ligand binding energies (LBEs) for various types of carbenes interacting with different metal groups using advanced computational methods.
  • It highlights that alkali and alkaline earth metals exhibit ionic bonding characteristics, while group 10 and 11 metals display covalent-like bonding, influenced by the nature of electron donation.
  • The research improves understanding of how NHCs interact with metals, which can guide the design of new systems utilizing these interactions.
View Article and Find Full Text PDF

A range of carbene structures and their adducts with one another and with a selection of small-molecule electrophiles and nucleophiles were examined at the composite correlated molecular orbital theory G3MP2 level to explore ground-state "carbenic" structures, their stabilities, and reactivities. Differences between carbene general classification as a singlet electrophilic carbene or singlet nucleophilic carbene and their given reactivity are discussed. A key quantity is the carbon-carbon bond dissociation energy for carbene dimers or the carbene-adduct dissociation energy for other species.

View Article and Find Full Text PDF

Cellular populations such as avascular tumors and microbial biofilms may 'invade' or grow into surrounding populations. The invading population is often comprised of a heterogeneous mixture of cells with varying growth rates. The population may also exhibit mutational instabilities, such as a heavy deleterious mutation load in a cancerous growth.

View Article and Find Full Text PDF

A PHP Error was encountered

Severity: Warning

Message: fopen(/var/lib/php/sessions/ci_sessionulvepefe1umv85sd4e4j2um8g8943400): Failed to open stream: No space left on device

Filename: drivers/Session_files_driver.php

Line Number: 177

Backtrace:

File: /var/www/html/index.php
Line: 316
Function: require_once

A PHP Error was encountered

Severity: Warning

Message: session_start(): Failed to read session data: user (path: /var/lib/php/sessions)

Filename: Session/Session.php

Line Number: 137

Backtrace:

File: /var/www/html/index.php
Line: 316
Function: require_once