位置：成果数据库 > 期刊 > 期刊详情页
A five-dimensional quantum dynamics study of the F(P-2)+CH4 reaction
  • ISSN号：0021-9606
  • 期刊名称：Journal of Chemical Physics
  • 时间：0
  • 页码：1-6
  • 相关项目：凝聚态复杂分子体系的反应动力学实验与理论研究
作者： Chu, Tianshu|Han, Keli|Espinosa-Garcia, Joaquin|
同期刊论文项目
凝聚态复杂分子体系的反应动力学实验与理论研究
期刊论文 112 会议论文 13 著作 1
同项目期刊论文
Exact Quantum-Scattering Study of the D(S-2)+DS((II)-I-2) Reaction
Nonadiabatic effects in the H+H-2 exchange reaction: Accurate quantum dynamics calculations at a sta
Reconsideration of the excited-state double proton transfer (ESDPT) in 2-aminopyridine/acid systems:
Theoretical Insights into Hydrogen Bonding and Its Influence on the Structural and Spectral Properti
Mo-S-I Nanowires: A Promising Anode Material for Lithium-Ion Batteries. A First-Prhiciples Study
Revealing quantitative structure-activity relationships of transport properties in acene and acene d
Quantum mechanical effect in protein-ligand interaction
The Effect of Intermolecular Hydrogen Bonding on the Fluorescence of a Bimetallic Platinum Complex
Fluorescence quenching phenomena facilitated by excited-state hydrogen bond strengthening for fluore
An ICT-based strategy to a colorimetric and ratiometric fluorescence probe for hydrogen sulfide in l
Nonadiabatic quantum dynamics calculations for the N plus NH -> N-2 + H reaction
Lithium-Doped Conjugated Microporous Polymers for Reversible Hydrogen Storage
Anion-Exchange-Triggered 1,3-Shift of an NH Proton to Iridium in Protic N-Heterocyclic Carbenes: Hyd
Time-dependent Wave Packet Quantum Scattering Study of Reaction S(P-3)+H-2 -> HS+H on a New ab initi
The investigation of nonadiabatic effects for the N+ND -> N-2+D reaction
Exact quantum scattering study of the H plus HS reaction on a new ab initio potential energy surface
Anisotropic Charge Transport in Bisindenoanthrazoline-Based n-Type Organic Semiconductors
Heteroatomic Effects on Charge-Transfer Mobility of Dianthra[2,3-b:2 ';,3 ';-f]thieno[3,2-b]thiophen
A TD-DFT Study on the Cyanide-Chemosensing Mechanism of 8-Formyl-7-hydroxycoumarin
Quantum Mechanics Rate Constant for the N plus ND Reaction
Simulation of Hole Mobility in alpha-Oligofuran Crystals
Excited-State Proton Transfer via Hydrogen-Bonded Acetic Acid (AcOH) Wire for 6-Hydroxyquinoline
TDDFT Study on Different Sensing Mechanisms of Similar Cyanide Sensors Based on Michael Addition Rea
Density Functional Theory Study on Electron and Hole Transport Properties of Organic Pentacene Deriv
New ab initio potential energy surface and quantum dynamics of the reaction H(S-2) + NH(X-3 Sigma(-)
Terpyridine-derived Zn2+ Selective Fluorescence Sensor: Ratiometric Fluoroionophoric Behavior Study
The Coriolis effect in the N plus ND -> N-2 + D reaction
细胞色素P450催化4-氯-N-环丙基-N-异丙基苯胺C_α–H羟基化反应机理的理论研究
Photophysical Properties of Coordination-Driven Self-Assembled Metallosupramolecular Rhomboids: Expe
Strong Two-Photon Excited Fluorescence in Pyrene Core Dendrimers with Fluorene/Carbazole as Dendrons
pH-Controlled twisted intramolecular charge transfer (TICT) excited state via changing the charge tr
Photophysical properties of intra- molecular charge transfer in two newly synthesized tribranched do
Nonadiabatic quantum reactive scattering of the OH(A (2)Sigma(+)) + D-2
Quenching of OH(A(2)Sigma(+)) by H-2 through Conical Intersections: Highly Excited Products in Nonre
Photoinduced charge transfer in porphyrin/C60 oligomer
Fundamental Reaction Pathways for Cytochrome P450-Catalyzed 5 ';-Hydroxylation and N-Demethylation o
Structure-dependent all-optical switching in graphene nanoribbon-like molecules: fully conjugated tr
Steric hindrance effect of the equatorial ligand on Fe(IV)O and Ru(IV)O complexes: a density functio
TD-DFT study on fluoride-sensing mechanism of 2-(2 ';-phenylureaphenyl)benzoxazole: the way to inhib
A reaction of formaldehyde with acetonitrile: understanding the preparation of RDX(I)
Theoretical studies of iridium-mediated tautomerization of substituted pyridines
Catalytic Mechanism of Cytochrome P450 for 5 ';-Hydroxylation of Nicotine: Fundamental Reaction Path
A Near-IR Reversible Fluorescent Probe Modulated by Selenium for Monitoring Peroxynitrite and Imagin
Nitrosation of malononitrile by HONO, ClNO and N2O3: A theoretical study
Spectral and intramolecular charge transfer properties in terminal donor/acceptor-substituted all-tr
Rational Design of d-PeT Phenylethynylated-Carbazole Monoboronic Acid Fluorescent Sensors for the Se
Role of Intramolecular and Intermolecular Hydrogen Bonding in Both Singlet and Triplet Excited State
First-Principles Investigation of Anistropic Hole Mobilities in Organic Semiconductors
Theoretical and experimental study on the intramolecular charge transfer excited state of the new hi
Experimental and theoretical study of the rotational reorientation dynamics of 7-animocoumarin deriv
Excited State Electronic Structures and Photochemistry of Heterocyclic Annulated Perylene (HAP) Mate
Theoretical Study of 1,3-Dipolar Cycloaddition of Hydrazoic Acid to Substituted Ynamines
Theoretical study of cyclohexane hydroxylation by three possible isomers of [Fe-IV(O)(R-TPEN)](2+):
Excited-state hydrogen bonding effect on dynamic fluorescence of coumarin 102 chromophore in solutio
Detection of OH Radical in the Photodissociation of p-Aminobenzoic Acid at 266 nm
A fluorescent probe for rapid detection of thiols and imaging of thiols reducing repair and H2O2 oxi
Hydrogen Bonding in the Electronic Excited State
Damir Aumiler, Silvije Vdovic, Shenghien Lin*, Localized Emitting State and Energy Transfer Properti
A fluorescent probe directly detect peroxynitrite based on boronate oxidation and its applications f
Spectroscopic Evidence for Unusual Microviscosity in Imidazolium Ionic Liquid and Tetraethylene Glyc
The invalidity of the photo-induced electron transfer mechanism for fluorescein derivatives
A BODIPY fluorescence probe modulated by selenoxide spirocyclization reaction for peroxynitrite dete
Quantum wave packet dynamics study of the S(P-3) + H-2 reaction on the lowest SH2(1(3)A ';';) state
Steered molecular dynamics simulation study on dynamic self-assembly of single-stranded DNA with dou
Modification of n-Type Organic Semiconductor Performance of Perylene Diimides by Substitution in Dif
Rapid internal conversion in a symmetric molecule LD 700 studied by means of femtosecond fluorescence depletion