Publication which utilized HKU's HPC resource
Comparison of the dehalogenation of polyhalomethanes and production of strong acids in aqueous and salt (NaCl) water environments: Ultraviolet photolysis of CH2I2,
, Journal of Chemical Physics, 11/2004, Volume 121, Issue 17, (2004)
A density functional theory study of the 5-exo cyclization reactions of (alpha-substituted 6,6-diphenyl-5-hexenyl radicals,
, Journal of Organic Chemistry, Volume 71, Issue 5, (2006)
A density functional theory study of the cyclization and ring opening reactions of selected 2,2-diphenyl-cyclopropyl radicals,
, Journal of molecular structure: THEOCHEM, 2007, Volume 811, (2007)
Observation of singlet cycloreversion of thymine oxetanes by direct photolysis,
, Journal of Physical Chemistry B, 08/2008, Volume 112, Issue 37, (2008)
Density Functional Theory and Time-Resolved Resonance Raman Investigation of the Photocyclization of 2-Pyridyl Phenyl Ketone in Acid Solution,
, Journal of Physical Chemistry A, 01/2009, Volume 113, Issue 10, (2009)
Time-resolved resonance Raman and density functional theory investigation of the photoreactions of benzophenone in aqueous solution.,
, The journal of physical chemistry. A, 2009 Apr 9, Volume 113, Issue 14, p.3344-52, (2009)
Abstract
Time-resolved resonance Raman and density functional theory investigation of the photochemistry of (S)-ketoprofen.,
, The journal of physical chemistry. B, 2009 Jul 30, Volume 113, Issue 30, p.10530-9, (2009)
Abstract
Time-resolved resonance Raman study of the effect of pH on the photoreactions of 3-benzoylpyridine in aqueous solution.,
, The journal of physical chemistry. A, 2009 Nov 5, Volume 113, Issue 44, p.12215-24, (2009)
Abstract
Unravelling the reaction mechanism for the fast photocyclisation of 2-benzoylpyridine in aqueous solvent by time-resolved spectroscopy and density functional theory calculations.,
, Chemistry (Weinheim an der Bergstrasse, Germany), 2010 Jun 18, Volume 16, Issue 23, p.6961-72, (2010)
Abstract
Water concentration dependent photochemistry of ketoprofen in aqueous solutions.,
, Physical chemistry chemical physics : PCCP, 2010 May 14, Volume 12, Issue 18, p.4800-8, (2010)
Abstract
Comparison of the Absorption, Emission, and Resonance Raman Spectra of 7-Hydroxyquinoline and 8-Bromo-7-Hydroxyquinoline Caged Acetate,
, Journal of Physical Chemistry A, 09/2011, Volume 115, Issue 42, p.9, (2011)
Femtosecond transient absorption, nanosecond time-resolved resonance Raman, and density functional theory study of fenofibric acid in acetonitrile and isopropyl alcohol solvents.,
, The journal of physical chemistry. A, 2011 Dec 15, Volume 115, Issue 49, p.14168-74, (2011)
Abstract
Resonance Raman spectroscopic and theoretical investigation of the excited state proton transfer reaction dynamics of 2-thiopyridone.,
, The journal of physical chemistry. B, 2011 Jun 30, Volume 115, Issue 25, p.8266-77, (2011)
Abstract
Reaction mechanisms and structural characterization of the reactive intermediates observed after the photolysis of 3-(hydroxymethyl)benzophenone in acetonitrile, 2-propanol, and neutral and acidic aqueous solutions.,
, The Journal of organic chemistry, 2011 May 20, Volume 76, Issue 10, p.3710-9, (2011)
Abstract
Comparison of the absorption, emission, and resonance Raman spectra of 7-hydroxyquinoline and 8-bromo-7-hydroxyquinoline caged acetate.,
, The journal of physical chemistry. A, 2011 Oct 27, Volume 115, Issue 42, p.11632-40, (2011)
Abstract
Water- and acid-mediated excited-state intramolecular proton transfer and decarboxylation reactions of ketoprofen in water-rich and acidic aqueous solutions.,
, Chemistry (Weinheim an der Bergstrasse, Germany), 2011 Sep 19, Volume 17, Issue 39, p.10935-50, (2011)
Abstract
Influence of the chloro substituent position on the triplet reactivity of benzophenone derivatives: a time-resolved resonance Raman and density functional theory study,
, Journal of Raman Spectroscopy, 10/2011, Volume 43, Issue 6, p.7, (2012)
Effects of hydrogen bond and solvent polarity on the C=O stretching of bis(2-thienyl)ketone in solution.,
, The Journal of chemical physics, 2012 Mar 28, Volume 136, Issue 12, p.124509, (2012)
Abstract
Direct observation of triplet state mediated decarboxylation of the neutral and anion forms of ketoprofen in water-rich, acidic, and PBS solutions.,
, The journal of physical chemistry. B, 2012 May 24, Volume 116, Issue 20, p.5882-7, (2012)
Abstract
Unraveling the mechanism of the photodeprotection reaction of 8-bromo- and 8-chloro-7-hydroxyquinoline caged acetates.,
, Chemistry (Weinheim an der Bergstrasse, Germany), 2012 May 29, Volume 18, Issue 22, p.6854-65, (2012)
Abstract
How and when does an unusual and efficient photoredox reaction of 2-(1-hydroxyethyl) 9,10-anthraquinone occur? A combined time-resolved spectroscopic and DFT study.,
, Journal of the American Chemical Society, 2012 Sep 12, Volume 134, Issue 36, p.14858-68, (2012)
Abstract
Carbon Nanotubes Functionalized with Metal Containing Block Copolymers and Their Applications in Optoelectronics,
, The 2013 Congress of the European Polymer Federation EPF 2013, Pisa, Italy, (2013)
The first dehydration and the competing reaction pathways of glucose homogeneously and heterogeneously catalyzed by acids,
, Physical chemistry chemical physics, Volume 15, (2013)