Guosen Yan
A Festschrift from Theoretical Chemistry Accounts
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25 Result(s)
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Article
Imaging of the charge-transfer reaction of spin–orbit state-selected Ar+(2P3/2) with N2 reveals vibrational-state-specific mechanisms
Charge-transfer reactions are ubiquitous and play important roles in various gaseous environments, but, despite a long history of extensive research, our understanding of their dynamics at the quantum state-to...
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Open AccessSpin-dependent reactivity and spin-flip** dynamics in oxygen atom scattering from graphite
The formation of two-electron chemical bonds requires the alignment of spins. Hence, it is well established for gas-phase reactions that changing a molecule’s electronic spin state can dramatically alter its r...
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Self-healing, Stretchable, Temperature-Sensitive and Strain-Sensitive Hydrogel-based Flexible Sensors
Flexible hydrogels have shown promise as strain sensors in medical monitoring, human motion detection and intelligent robotics. For a hydrogel strain sensor, certain challenges need to be urgently addressed fo...
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Open AccessHydrogen atom collisions with a semiconductor efficiently promote electrons to the conduction band
The Born–Oppenheimer approximation is the keystone of modern computational chemistry and there is wide interest in understanding under what conditions it remains valid. Hydrogen atom scattering from insulator,...
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Observation of resonances in the transition state region of the F + NH3 reaction using anion photoelectron spectroscopy
The transition state of a chemical reaction is a dividing surface on the reaction potential energy surface (PES) between reactants and products and is thus of fundamental interest in understanding chemical rea...
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Engineering catalyst supports to stabilize PdOx two-dimensional rafts for water-tolerant methane oxidation
The treatment of emissions from natural gas engines is an important area of research since methane is a potent greenhouse gas. The benchmark catalysts, based on Pd, still face challenges such as water poisonin...
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Open AccessFull-dimensional quantum stereodynamics of the non-adiabatic quenching of OH(A2Σ+) by H2
The Born–Oppenheimer approximation, assuming separable nuclear and electronic motion, is widely adopted for characterizing chemical reactions in a single electronic state. However, the breakdown of the Born–Op...
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Quasiclassical simulations based on cluster models reveal vibration-facilitated roaming in the isomerization of CO adsorbed on NaCl
The desire to better understand the quantum nature of isomerization led to recent experimental observations of the vibrationally induced isomerization of OC–NaCl(100) to CO–NaCl(100). To investigate the mechan...
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Synthesis and Characterization of Cerium Oxide Quantum Dots Loaded Biodegradable Dextran Matrix for Effective Pain Management
The essential intention towards this report is the synthesis and characterization of cerium oxide quantum dots (CeO2 QDs) loaded biodegradable dextran matrix (CED) for the effective pain management in biomedical ...
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State-to-state scattering of highly vibrationally excited NO at broadly tunable energies
Experimental developments continue to challenge the theoretical description of molecular interactions. One key arena in which these advances have taken place is in rotationally inelastic scattering. Electric f...
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A voltammetric sensor for simultaneous determination of hydroquinone and catechol by using a heterojunction prepared from gold nanoparticle and graphitic carbon nitride
An electrochemical sensor is described for the simultaneous determination of hydroquinone (HQ) and catechol (CC) based on a nanocomposite consisting of gold nanoparticles and graphitic carbon nitride (g-C3N4). Th...
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Feshbach resonances in the exit channel of the F + CH3OH → HF + CH3O reaction observed using transition-state spectroscopy
The transition state governs how chemical bonds form and cleave during a chemical reaction and its direct characterization is a long-standing challenge in physical chemistry. Transition state spectroscopy expe...
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A Novel Method for Efficient Preparation of Mucosal Adjuvant Escherichia coli Heat-Labile Enterotoxin Mutant (LTm) by Artificially Assisted Self-Assembly In Vitro
As well-known powerful mucosal adjuvant proteins, Escherichia coli heat-labile enterotoxin (LT) and its non-toxic or low-toxic mutants (LTm) are capable of promoting strong mucosal immune responses to co-administ...
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Book
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Chapter
A tribute to Guosen Yan
Professor Guosen Yan was born in 1930 in Nanchong, Sichuan Province, China. He graduated in 1951 from Chongqing University, majoring in Chemistry, and upon graduation joined the faculty in the same university....
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Chapter
Hemibond complexes between H2S and free radicals (F, Cl, Br, and OH)
The interaction of hydrogen sulfide (H2S) with F, Cl, Br, and OH is investigated using ab initio methods to identify the two-center three-electron hemibond responsible for their complexation. The binding energies...
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Chapter
A comparison study of the H + CH4 and H + SiH4 reactions with eight-dimensional quantum dynamics: normal mode versus local mode in the reactant molecule vibration
While molecular vibration of CH 4 is well described by the normal-mode paradigm, the local mode picture is more suitable for understanding the SiH 4 stretching vibrational motion. To compare the roles of the t...
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Article
A tribute to Guosen Yan
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Article
A comparison study of the H + CH4 and H + SiH4 reactions with eight-dimensional quantum dynamics: normal mode versus local mode in the reactant molecule vibration
While molecular vibration of CH4 is well described by the normal-mode paradigm, the local mode picture is more suitable for understanding the SiH4 stretching vibrational motion. To compare the roles of the two ty...
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Article
Hemibond complexes between H2S and free radicals (F, Cl, Br, and OH)
The interaction of hydrogen sulfide (H2S) with F, Cl, Br, and OH is investigated using ab initio methods to identify the two-center three-electron hemibond responsible for their complexation. The binding energies...
