Electrons dynamics control by shaping femtosecond laser pulses in micro/nanofabrication: modeling, method, measurement and application
During femtosecond laser fabrication, photons are mainly absorbed by electrons, and the
subsequent energy transfer from electrons to ions is of picosecond order. Hence, lattice …
subsequent energy transfer from electrons to ions is of picosecond order. Hence, lattice …
Tracking Molecular Fragmentation in Electron–Ionization Mass Spectrometry with Ultrafast Time Resolution
M Dantus - Accounts of Chemical Research, 2024 - ACS Publications
Conspectus Mass spectrometry is a powerful analytical method capable of identifying
compounds given a minute amount of material. The fragmentation pattern that results …
compounds given a minute amount of material. The fragmentation pattern that results …
Mechanisms and time-resolved dynamics for trihydrogen cation (H3+) formation from organic molecules in strong laser fields
Strong-field laser-matter interactions often lead to exotic chemical reactions. Trihydrogen
cation formation from organic molecules is one such case that requires multiple bonds to …
cation formation from organic molecules is one such case that requires multiple bonds to …
[HTML][HTML] Ultrafast disruptive probing: Simultaneously keeping track of tens of reaction pathways
Ultrafast science depends on different implementations of the well-known pump–probe
method. Here, we provide a formal description of ultrafast disruptive probing, a method in …
method. Here, we provide a formal description of ultrafast disruptive probing, a method in …
[HTML][HTML] Substituent effects on H3+ formation via H2 roaming mechanisms from organic molecules under strong-field photodissociation
Roaming chemical reactions are often associated with neutral molecules. The recent
findings of roaming processes in ionic species, in particular, ones that lead to the formation …
findings of roaming processes in ionic species, in particular, ones that lead to the formation …
Nonadiabatic dynamics for electrons at second-order: Real-time TDDFT and OSCF2
TS Nguyen, J Parkhill - Journal of chemical theory and …, 2015 - ACS Publications
We develop a new model to simulate nonradiative relaxation and dephasing by combining
real-time Hartree–Fock and density functional theory (DFT) with our recent open-systems …
real-time Hartree–Fock and density functional theory (DFT) with our recent open-systems …
Conserved vibrational coherence in the ultrafast rearrangement of 2-nitrotoluene radical cation
D Ampadu Boateng, MKD Word… - The Journal of …, 2019 - ACS Publications
2-Nitrotoluene (2-NT) is a good model for both photolabile protecting groups for organic
synthesis and the military explosive 2, 4, 6-trinitrotoluene (TNT). In addition to the direct C …
synthesis and the military explosive 2, 4, 6-trinitrotoluene (TNT). In addition to the direct C …
Black-box, real-time simulations of transient absorption spectroscopy
TS Nguyen, JH Koh, S Lefelhocz… - The Journal of Physical …, 2016 - ACS Publications
We introduce an atomistic, all-electron, black-box electronic structure code to simulate
transient absorption (TA) spectra and apply it to simulate pyrazole and a GFP-chromophore …
transient absorption (TA) spectra and apply it to simulate pyrazole and a GFP-chromophore …
Determination of pesticides by gas chromatography combined with mass spectrometry using femtosecond lasers emitting at 267, 400, and 800 nm as the ionization …
X Yang, T Imasaka, T Imasaka - Analytical chemistry, 2018 - ACS Publications
A standard sample mixture containing 51 pesticides was separated by gas chromatography
(GC), and the constituents were identified by mass spectrometry (MS) using femtosecond …
(GC), and the constituents were identified by mass spectrometry (MS) using femtosecond …
[HTML][HTML] High-Throughput UV Photoionization and Fragmentation of Neutral Biomolecules as a Structural Fingerprint
S Wang, Y Dauletyarov, DA Horke - Molecules, 2023 - mdpi.com
We present UV photofragmentation studies of the structural isomers paracetamol, 3-
Pyridinepropionic acid (3-PPIA) and (R)-(-)-2-Phenylglycine. In particular, we utilized a new …
Pyridinepropionic acid (3-PPIA) and (R)-(-)-2-Phenylglycine. In particular, we utilized a new …