|
[1]
|
Infrared Spectroscopy of Neutral and Cationic Benzonitrile–Methanol Binary Clusters in Supersonic Jets
Molecules,
2024
DOI:10.3390/molecules29122744
|
|
|
|
|
[2]
|
Single-Photon Ionization Induced New Covalent Bond Formation in Acrylonitrile(AN)–Pyrrole(Py) Clusters
The Journal of Physical Chemistry A,
2023
DOI:10.1021/acs.jpca.3c02481
|
|
|
|
|
[3]
|
Extraction desulfurization with mixed solvents of organic solvent + organic solvent or deep eutectic solvent as extractants: Liquid-liquid equilibrium experiments and molecular dynamics simulations
Fluid Phase Equilibria,
2023
DOI:10.1016/j.fluid.2022.113655
|
|
|
|
|
[4]
|
A theoretical study of a series of iridium complexes with methyl or nitro-substituted 2-(4-fluorophenyl)pyridine ligands with the low-efficiency roll-off performance
Chemical Physics Letters,
2023
DOI:10.1016/j.cplett.2023.140465
|
|
|
|
|
[5]
|
Single-photon ionization induced C–C or C–N bond formation in pyrrole clusters
Physical Chemistry Chemical Physics,
2023
DOI:10.1039/D3CP00028A
|
|
|
|
|
[6]
|
Computational, Investigational Explorations on Structural, Electro-Optic Behavior of Pelargonidin Organic Colorant for TiO2 Based DSSCs
Symmetry,
2022
DOI:10.3390/sym15010022
|
|
|
|
|
[7]
|
Computational, Investigational Explorations on Structural, Electro-Optic Behavior of Pelargonidin Organic Colorant for TiO2 Based DSSCs
Symmetry,
2022
DOI:10.3390/sym15010022
|
|
|
|
|
[8]
|
Rational Design and Experimental Research on the Self-Assembled System of Thermosensitive Molecularly Imprinted Polymers Formed by α-Lipoic Acid and N-Vinyl Caprolactam
International Journal of Polymer Science,
2021
DOI:10.1155/2021/6693198
|
|
|
|
|
[9]
|
Effect of benzene ring on the excited‐state intramolecular proton transfer mechanisms of hydroxyquinoline derivatives
Journal of Physical Organic Chemistry,
2021
DOI:10.1002/poc.4257
|
|
|
|
|
[10]
|
Excited state hydrogen atom transfer in micro-solvated dicoumarol: A TDDFT/EFP1 study
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,
2019
DOI:10.1016/j.saa.2018.10.015
|
|
|
|
|
[11]
|
A theoretical study on excited state proton transfer in 2‐(2′‐dihydroxyphenyl) benzoxazole
Journal of Physical Organic Chemistry,
2018
DOI:10.1002/poc.3867
|
|
|
|
|
[12]
|
A theoretical study on excited state proton transfer in 2-(2′-dihydroxyphenyl) benzoxazole
Journal of Physical Organic Chemistry,
2018
DOI:10.1002/poc.3867
|
|
|
|
|
[13]
|
The ESIPT mechanism of dibenzimidazolo diimine sensor: a detailed TDDFT study
Journal of Physical Organic Chemistry,
2016
DOI:10.1002/poc.3513
|
|
|
|
|
[14]
|
Theoretical investigation on ESIPT mechanism of a new fluorescent sensor in different solvents
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,
2016
DOI:10.1016/j.saa.2016.01.025
|
|
|
|
|
[15]
|
Exploring excited state properties of 7-hydroxy and 7-methoxy 4-methycoumarin: a combined time-dependent density functional theory/effective fragment potential study
New J. Chem.,
2016
DOI:10.1039/C5NJ02917A
|
|
|
|
|
[16]
|
Photoinduced hydrogen-bonding dynamics
Journal of Molecular Modeling,
2016
DOI:10.1007/s00894-016-3073-2
|
|
|
|
|
[17]
|
Intersystem Crossing Pathway in Quinoline–Pyrazole Isomerism: A Time-Dependent Density Functional Theory Study on Excited-State Intramolecular Proton Transfer
The Journal of Physical Chemistry A,
2015
DOI:10.1021/acs.jpca.5b03557
|
|
|
|
|
[18]
|
A detailed theoretical investigation on the excited-state intramolecular proton-transfer mechanism of 3-BTHPB chemosensor
Theoretical Chemistry Accounts,
2015
DOI:10.1007/s00214-015-1664-0
|
|
|
|
|
[19]
|
Excited-State Intramolecular Proton Transfer Reaction of 3-Hydroxyflavone
Journal of Cluster Science,
2015
DOI:10.1007/s10876-015-0893-7
|
|
|
|
|
[20]
|
Roles of hydrogen bonds and π–π stacking in the optical detection of nitro-explosives with a luminescent metal–organic framework as the sensor
RSC Adv.,
2015
DOI:10.1039/C4RA12835D
|
|
|
|
|
[21]
|
TDDFT study on the excited-state proton transfer of 8-hydroxyquinoline: Key role of the excited-state hydrogen-bond strengthening
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,
2015
DOI:10.1016/j.saa.2014.12.015
|
|
|
|
|
[22]
|
The Charge Transfer Phenomenon in Benzene–Pyrene–Sulfoxide/Methanol System: Role of the Intermolecular Hydrogen Bond in Excited States
Journal of Cluster Science,
2015
DOI:10.1007/s10876-014-0830-1
|
|
|
|
|
[23]
|
A TDDFT/EFP1 study on hydrogen bonding dynamics of coumarin 151 in water
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,
2015
DOI:10.1016/j.saa.2014.08.017
|
|
|
|
|
[24]
|
A questionable excited-state double-proton transfer mechanism for 3-hydroxyisoquinoline
Phys. Chem. Chem. Phys.,
2015
DOI:10.1039/C4CP04135F
|
|
|
|
|
[25]
|
Computational Study of the Molecular Complexes between 5-HTP with ATP and DHEA. Potential New Drug Resulting from This Complexation
Computational Chemistry,
2015
DOI:10.4236/cc.2015.31003
|
|
|
|
|
[26]
|
Organic Nonlinear Optical Materials: The Mechanism of Intermolecular Covalent Bonding Interactions of Kekulé Hydrocarbons with Significant Singlet Biradical Character
ChemPhysChem,
2014
DOI:10.1002/cphc.201402026
|
|
|
|
|
[27]
|
Excited-state intramolecular hydrogen bonding of compounds based on 2-(2-hydroxyphenyl)-1,3-benzoxazole in solution: A TDDFT study
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,
2014
DOI:10.1016/j.saa.2014.06.072
|
|
|
|
|
[28]
|
TDDFT study of the polarity controlled ion-pair separation in an excited-state proton transfer reaction
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,
2014
DOI:10.1016/j.saa.2014.02.149
|
|
|
|
|
[29]
|
Hydrogen bond nature in formamide (CYHNH2···XH; YO, S, Se, Te; XF, HO, NH2) complexes at their ground and low-lying excited states
Journal of Physical Organic Chemistry,
2014
DOI:10.1002/poc.3270
|
|
|
|
|
[30]
|
pH-Related and Site-Specific Excited-State Proton Transfer from Pterin to Acetate
The Journal of Physical Chemistry B,
2014
DOI:10.1021/jp5082017
|
|
|
|
|
[31]
|
Hydrogen bond nature in formamide (CYHNH2···XH; YO, S, Se, Te; XF, HO, NH2) complexes at their ground and low‐lying excited states
Journal of Physical Organic Chemistry,
2014
DOI:10.1002/poc.3270
|
|
|
|
|
[32]
|
Organic Nonlinear Optical Materials: The Mechanism of Intermolecular Covalent Bonding Interactions of Kekulé Hydrocarbons with Significant Singlet Biradical Character
ChemPhysChem,
2014
DOI:10.1002/cphc.201402026
|
|
|
|
|
[33]
|
Wagging motion of hydrogen-bonded wire in the excited-state multiple proton transfer process of 7-hydroxyquinoline·(NH3)3 cluster
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,
2013
DOI:10.1016/j.saa.2013.04.067
|
|
|
|