Results 31 to 40 of about 13,758 (245)

Study of fragmentation dynamics for CO2q+ (q≤4) in strong laser fields

He jishu, 2022
BackgroundThe research of molecular fragmentation dynamics has attracted extensive attention in the fields of physics, chemistry and biology. The major challenge in this field is to understand the selectivity of molecular bond breaking and to elucidate ...
ZHANG Shuai, JIANG Wenbin, WANG Xincheng, JIANG Yuhai, ZHU Zhiyuan   +4 more
doaj   +1 more source

Quantum chemical and microkinetic study of H2 dissociation on Cu4 cluster in the gas phase

, 2023
Here we study the H2 dissociation mechanism on cationic and neutral Cu4 clusters using master equation based microkinetic modelling. Cationic cluster hinders the H2 dissociation compared to the neutral one.
Tibor, Höltzl, Máté, Szalay
core   +1 more source

Contextualizando reações ácido-base de acordo com a teoria protônica de Brönsted-Lowry usando comprimidos de propranolol e nimesulida

Química Nova, 2013
This paper reports the use of alternative materials for teaching experimental chemistry. In this context, nimesulide and propranolol tablets were used to teach chemical concepts about acid-base reactions according to Brönsted-Lowry protonic Theory ...
Arlan de Assis Gonsalves, Cleônia Roberta Melo Araújo, Carlos Alberto Leite Filho, Felipe Santana de Medeiros   +3 more
doaj   +1 more source

Antiradical Activity of Beetroot (Beta vulgaris L.) Betalains

Molecules, 2021
Flavonoids, phenolic acids, and anthocyanidins are widely studied polyphenolics owing to their antiradical activity. Recently, beetroot dyes have drawn an attention as possible radical scavengers, but scant information can be found on this topic. In this
Maciej Spiegel, Andrzej Gamian, Zbigniew Sroka   +2 more
doaj   +1 more source

In-depth sphingomyelin characterization using electron impact excitation of ions from organics and mass spectrometry[S]

Journal of Lipid Research, 2016
Electron impact excitation of ions from organics (EIEIO), also referred to as electron-induced dissociation, was applied to singly charged SM molecular species in the gas phase.
Takashi Baba, J. Larry Campbell, J. C. Yves Le Blanc, Paul R.S. Baker   +3 more
doaj   +1 more source

Are the program packages for molecular structure calculations really black boxes? [PDF]

Journal of the Serbian Chemical Society, 2007
In this communication it is shown that the widely held opinion that compact program packages for quantum-mechanical calculations of molecular structure can safely be used as black boxes is completely wrong.
Mraković Ana, Drvendžija Milica, Samolov Aleksandra, Petković Milena, Perić Miljenko   +4 more
doaj   +3 more sources

On-surface light-induced generation of higher acenes and elucidation of their open-shell character

Nature Communications, 2019
The synthesis of large acenes via traditional solution-chemistry routes is hindered by their poor solubility and high reactivity under ambient conditions.
José I. Urgel, Shantanu Mishra, Hironobu Hayashi, Jan Wilhelm, Carlo A. Pignedoli, Marco Di Giovannantonio, Roland Widmer, Masataka Yamashita, Nao Hieda, Pascal Ruffieux, Hiroko Yamada, Roman Fasel   +11 more
doaj   +1 more source

Self-Dissociation of Polar Molecules in a Confined Infrared Vacuum

, 2023
Coherent light-matter interaction of molecular media in infrared (IR) cavities is a promising tool for manipulating and controlling chemical reactivity and light emission.
Johan F., Triana, Felipe, Herrera
core   +1 more source

Gas phase homolytic bond dissociation enthalpies of common laboratory solvents: A G4 theoretical study

, 2010
Gas phase standard state (298.15 K, 1 atm) calculations were conducted at the Gaussian-4 (G4) composite method level of theory to estimate the bond dissociation enthalpies (BDEs) of various common laboratory solvents.
Sierra Rayne, Kaya Forest
core   +1 more source

Absolute value of bond dissociation energy as a reaction direction marker.

, 2023
The calculation problem of bond-dissociation energy D0(M+-S) for M = Sc, Ti, V, Y, Zr, Nb was solved using the fundamental law of nature determining the dependence of chemical bond dissociation energy on its length.
Adel, iakubov
core   +1 more source