Search filters

List of works by Kaito Takahashi

A simple picture for the rotational enhancement of the rate for the F + HCl --> HF + Cl reaction: a dynamical study using a new ab initio potential energy surface

scientific article published on 01 January 2006

A study of resonance progressions in the F + HCl → Cl + HF reaction: a lifetime matrix analysis of pre-reactive and post-reactive collision complexes.

scientific article published in January 2013

Assessment of density functional theory to calculate the phase transition pressure of ice ⬇️

scientific article published on July 17, 2012

Competition between H2O and (H2O)2 reactions with CH2OO/CH3CHOO.

scientific article

Criegee Intermediate Reaction with Alcohol Is Enhanced by a Single Water Molecule

scientific article published on 05 December 2018

Dependence of Adenine Raman Spectrum on Excitation Laser Wavelength: Comparison between Experiment and Theoretical Simulations

scientific article

Dynamics and spectroscopy of vibrational overtone excited glyoxylic acid and 2,2-dihydroxyacetic acid in the gas-phase.

scientific article published in March 2010

Effect of unsaturated substituents in the reaction of Criegee intermediates with water vapor

scientific article published on 01 August 2018

Effective one-dimensional dipole moment function for the OH stretching overtone spectra of simple acids and alcohols

scientific article published on 01 May 2005

Effects of water vapor on the reaction of CH2OO with NH3

scientific article published on 07 October 2019

Even-odd product variation of the C(n)(+) + D(2) (n = 4-9) reaction: complexity of the linear carbon cation electronic states.

scientific article

Experimental and theoretical investigation of vibrational overtones of glycolic acid and its hydrogen bonding interactions with water

scientific article published on 01 May 2006

Experimental and theoretical study of the OH vibrational spectra and overtone chemistry of gas-phase vinylacetic acid.

scientific article published on 18 September 2008

Gas-phase water-mediated equilibrium between methylglyoxal and its geminal diol

scientific article

How big is the substituent dependence of the solar photolysis rate of Criegee intermediates?

scientific article published on 01 June 2018

How does substitution affect the unimolecular reaction rates of Criegee intermediates?

scientific article published on 26 April 2017

Hydrogen-Bonding Mediated Reactions of Criegee Intermediates in the Gas Phase: Competition between Bimolecular and Termolecular Reactions and the Catalytic Role of Water

scientific article published on 20 September 2019

Kinetics of Unimolecular Decay of Methyl Vinyl Ketone Oxide, an Isoprene-Derived Criegee Intermediate, under Atmospherically Relevant Conditions

scientific article published on 03 November 2020

Kinetics of the reaction of the simplest Criegee intermediate with ammonia: a combination of experiment and theory

scientific article published on 01 December 2018

Multidimensional OH local mode calculations for OH−(H2O)3—Importance of intermode anharmonicity ⬇️

scientific article published on November 13, 2012

Multireference configuration interaction calculations for the F(2P)+HCl-->HF+Cl(2P) reaction: a correlation scaled ground state (1 2A') potential energy surface

scientific article published on 01 June 2006

Odd-Even Reactivity Variation Due to Dynamical Effects around the Roaming Saddle Points of the Reaction Between C n- Chain ( n = 2-8) and H2

scientific article published on 17 June 2019

Photolysis cross-section of ozone dimer

scientific article published on 12 September 2011

Reactivity of Criegee Intermediates toward Carbon Dioxide.

scientific article

Source of oseltamivir resistance due to single E119D and double E119D/H274Y mutations in pdm09H1N1 influenza neuraminidase

scientific article published on 26 November 2019

Strong Negative Temperature Dependence of the Simplest Criegee Intermediate CH2OO Reaction with Water Dimer.

scientific article published on 26 June 2015

Synergy of Water and Ammonia Hydrogen Bonding in a Gas-Phase Reaction

scientific article published on 06 February 2019

Temperature and isotope effects in the reaction of CH3CHOO with methanol

scientific article published on 12 June 2019

Temperature dependence of the reaction of anti-CH3CHOO with water vapor

scientific article published on 01 October 2016

Temperature dependent structural variations of OH(-)(H2O)n, n = 4-7: effects on vibrational and photoelectron spectra

scientific article published on 01 July 2015

Temperature-Dependent Rate Coefficient for the Reaction of CH3SH with the Simplest Criegee Intermediate

scientific article published on 03 May 2019

Temperature-Dependent Rate Coefficients for the Reaction of CH2OO with Hydrogen Sulfide.

scientific article published on 9 January 2017

The Large Variation in Acidity of Diethyl Ether Cation Induced by Internal Rotation about a Single Covalent Bond

scientific article published on 04 May 2015

The role of the iodine-atom adduct in the synthesis and kinetics of methyl vinyl ketone oxide-a resonance-stabilized Criegee intermediate

scientific article published on 09 June 2020

Theoretical calculation of the OH vibrational overtone spectra of 1,5-pentanediol and 1,6-hexanediol.

scientific article published on 30 November 2011

Theoretical calculation of the OH vibrational overtone spectra of 1-n alkane diols (n = 2-4): origin of disappearing hydrogen-bonded OH peak

scientific article published on 13 May 2011

Theoretical calculation of the vibrational state dependent photodetachment spectra of X-H2O, X = F, Cl, Br.

scientific article

Theoretical study on the difference of OH vibrational spectra between OH−(H2O)3 and OH−(H2O)4 ⬇️

scientific article published on January 23, 2012

Theoretical study on the effect of intramolecular hydrogen bonding on OH stretching overtone decay lifetime of ethylene glycol, 1,3-propanediol, and 1,4-butanediol.

scientific article published on 20 September 2010

Theoretical vibrational spectra of OH(-)(H2O)2: the effect of quantum distribution and vibrational coupling

scientific article published on 01 October 2015

Two-Color Resonant Two-Photon Mass-Analyzed Threshold Ionization of 2,4-Difluoroanisole and the Additivity Relation of Ionization Energy

scientific article published on 03 December 2020

UV absorption spectrum of the C2 Criegee intermediate CH3CHOO.

scientific article

Unimolecular Decomposition Rate of the Criegee Intermediate (CH3)2COO Measured Directly with UV Absorption Spectroscopy.

scientific article published on 17 March 2016

Vibrational overtone induced elimination reactions within hydrogen-bonded molecular clusters: the dynamics of water catalyzed reactions in CH2FOH.H2On

scientific article published on 06 June 2007

Water Catalysis and Anticatalysis in Photochemical Reactions: Observation of a Delayed Threshold Effect in the Reaction Quantum Yield ⬇️

scientific article published on November 3, 2010

Water Vapor Does Not Catalyze the Reaction between Methanol and OH Radicals

scientific article published on 06 March 2019

Wave Packet Calculation of Absolute UV Cross Section of Criegee Intermediates

scientific article published in 2022

Will water act as a photocatalyst for cluster phase chemical reactions? Vibrational overtone-induced dehydration reaction of methanediol

scientific article published on 01 April 2012

Paulina is supported by:

About Paulina

Help