Results 41 to 50 of about 19,154 (230)

TD-DFT Insight into Photodissociation of Co-C Bond in Coenzyme B12

Frontiers in Chemistry, 2014
Coenzyme B12 (AdoCbl) is one of the most biologically active forms of vitamin B12, and continues to be a topic of active research interest. The mechanism of Co-C bond cleavage in AdoCbl, and the corresponding enzymatic reactions are however, not well ...
Pawel Michal Kozlowski, Hui eLiu, Karina eKornobis, Piotr eLodowski, Maria eJaworska   +4 more
doaj   +1 more source

Molecular filming: A director's grammar for visualizing chemistry in motion

Bulletin of the Korean Chemical Society, EarlyView.
Molecular filming names the practice, not just the product, of ultrafast structural science. In deliberate analogy to molecular editing, which rewrites connectivity in space, molecular filming records geometry in time, assembling time‐ordered structural frames into a movie of atomic motion and recasting the field as a grammar of directorial choices ...
Hyotcherl Ihee
wiley   +1 more source

State-resolved UV Photodissociation of OH: High-lying Excited States, Shape Resonances, and Thermal Cross Sections

The Astrophysical Journal
The hydroxyl radical (OH) is a key intermediate in oxygen chemistry and one of the primary tracers of ultraviolet (UV)-driven molecular processing in astrophysical environments, including photodissociation regions, protoplanetary disks, and planetary ...
Yu Kun Yang, Yi Jing Zhou, Xing Guang Su, Zhi Qin, Chao Chao Qin, Yu Wang, Ju Meng, Yong Wu, Jian Guo Wang, Yi Zhi Qu, Pan Song, Song Bin Zhang, Kun Wang   +12 more
doaj   +1 more source

Photodissociation dynamics of HCOOH(Ã)

Chemical Physics Letters, 1988
The technique of Doppler-resolved, polarised LIF spectroscopy has been employed in a study of the energy and momenta disposal in the OH fragments generated via photodissociation of HCOOH (A 1A″) at 225 nm. The majority of the excess energy resides in fragment translation (≈ 78%) and internal excitation of the HCO fragment (≈ 12%).
Brouard, M, Omahony, J
openaire   +2 more sources

Charge Resonance Interaction in Aromatic Trimer Radical Cations Revealed by IR Spectroscopy: The Case of Pyrrole Homo‐ and Heterotrimers

Chemistry – A European Journal, EarlyView.
We demonstrate the power of high‐resolution infrared spectroscopy and complementary quantum chemical calculations to unravel the evolution of the aromatic charge resonance interaction (CR) in cold trimer radical cations for the prototypical pyrrole clusters.
Dashjargal Arildii, Otto Dopfer
wiley   +1 more source

Electronic Structures and Photodetachment of TeO₂⁻, TeO₃⁻, and HTeO₄⁻ Anions: A Cryogenic Photoelectron Spectroscopic Study

Molecules
Cryogenic anion photoelectron spectroscopy combined with quantum chemical calculations was employed to investigate the electronic structures and photodetachment properties of TeO2−, TeO3−, and HTeO4− anions.
Fan Yang, Xueying Li, Peng Tang, Qixu Zhao, Jian Zhang, Ye Mei, Zhubin Hu, Zhenrong Sun, Yan Yang   +8 more
doaj   +1 more source

On the Energy-specific Photodissociation Pathways of 14N2 and 14N15N Isotopomers to N Atoms of Different Reactivity: A Quantum Dynamical Perspective

The Astrophysical Journal, 2023
Photodissociation of the nitrogen molecule in the vacuum ultraviolet (VUV) is a major source of reactive nitrogen atoms in the upper atmosphere of Earth and throughout the solar system.
Natalia Gelfand, Ksenia Komarova, Francoise Remacle, Raphael D. Levine   +3 more
doaj   +1 more source

Photodissociation Spectroscopy of [PDF]

Laser Chemistry, 1994
The photodissociation spectrum of is obtained from the yields of fragment ion as a function of photodissociation wavelength in the 400–1400 nm region. Two bands at 440 and 580 nm are attributed to the C ← X and the B ← X local excitation (LE) bands, respectively.
Kazuhiko Ohashi, Yasuhiro Nakai, Takeshi Shibata, Nobuyuki Nishi   +3 more
openaire   +1 more source

Metal‐Ion Regulated Light‐Free Z→E Isomerization of Azobenzene Glycomacrocycle

Chemistry – A European Journal, EarlyView.
Metal ion‐catalyzed Z→E isomerization of photoswitchable azobenzene glycomacrocycle: A new azobenzene‐based glycomacrocycle is capable of forming a 1:1 complex with divalent metal ions in both E‐ and Z‐isomers. The complexes undergo light‐free Z→E isomerization in a timescale spanning from seconds to weeks.
Yang Zhou, Jinbiao Jiao, Mathieu Lordez, Jean‐Yves Salpin, Juan Xie   +4 more
wiley   +1 more source

Photodissociation Dynamics of DNA Bases [PDF]

Journal of Biological Physics, 2003
In order to access the damaging mechanismsof DNA and its bases on themolecular level by T Hz radiation, it isnecessary to create a database of assessingdamage at different spectral regions.Possible damage by T Hz radiation will beassessed by comparison.
Sarantopoulou, Evangelia, Kollia, Zoe, Cefalas, Alciviadis Constantinos, Kobe, S., Samardzija, Z.   +4 more
openaire   +2 more sources