Drupal-Biblio17<style face="normal" font="default" size="100%">Controlling C–C coupling reactivity through pore shape engineering of B-doped graphyne family</style>Drupal-Biblio17<style face="normal" font="default" size="100%">“Origin of strong CO binding and low C-C coupling barrier for ethanol synthesis on non-metal doped graphyne: Bond order conservation and flexible orbital hybridization</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Synergic Cooperation of Ni, Mn and N-vacancy in Graphitic Carbon Nitride Sheets for Boosting Carbon Dioxide Electrochemical Reduction to Ethanol</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Understanding the interaction between transition metal doping and ligand atoms of ZnS and ZnO monolayers to promote CO2 reduction reaction</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Vibrational Spectrum of a 1D Oscillator: The Quantum, the Wigner, and the Classical Ways</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Evaluation of Ar tagging toward the vibrational spectra and zero point energy of X-HOH, X-DOH, and X-HOD, for X=F, Cl, Br</style>Drupal-Biblio17<style face="normal" font="default" size="100%">PEG-stabilized coaxial stacking of two-dimensional covalent organic frameworks for enhanced photocatalytic hydrogen evolution</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Reactions of Criegee Intermediates are Enhanced by Hydrogen-atom Relay Through Molecular Design</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Theoretical Study on the Direction of the Vibrational Transition Dipole Moment of XH Stretching Vibration in HXD</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Odd-Even Reactivity Variation due to Dynamical Effects around the Roaming Saddle Point of the Reaction Between Cn- Chain (n =2-8) and H2</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Synergy of water and ammonia hydrogen bonding in a gas-phase reaction</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Temperature and Isotope Effects in the Reaction of CH3CHOO with methanol</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Temperature-dependent Rate Coefficients for the Reaction of CH3SH with Simplest Criegee intermediates</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Water Vapor Does Not Catalyze the Reaction between Methanol and OH Radicals</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Effect of unsaturated substituents in the reaction of Criegee intermediates with water vapor</style>Drupal-Biblio17<style face="normal" font="default" size="100%">How big is the substituent dependence of the solar photolysis rate of Criegee intermediates?</style>Drupal-Biblio17<style face="normal" font="default" size="100%">The reactivity of Criegee intermediates towards carbon dioxide</style>Drupal-Biblio17<style face="normal" font="default" size="100%">How does substitution affect the unimolecular reaction rates of Criegee intermediates?</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Temperature-Dependent Rate Coefficients for the Reaction of CH2OO with Hydrogen Sulfide</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Absolute UV absorption cross sections of dimethyl substituted Criegee intermediate (CH3)2COO</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Competition between water monomer and dimer in the reaction with H2COO and CH3CHOO</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Temperature dependence of the reaction of anti-CH3CHOO with water vapor</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Theoretical analysis on vibrational and photodetachment spectra of X-H2O, X=F, Cl, Br</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Unimolecular Decomposition Rate of the Criegee Intermediate (CH3)2COO Measured Directly with UV Absorption Spectroscopy</style>Drupal-Biblio17<style face="normal" font="default" size="100%">“Will (CH3)2COO survive humidity?</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Features in Vibrational Spectra Induced by Ar-tagging for H3O+Arm m=0-3</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Is the structure of hydroxide dihydrate OH-(H2O)2? : An ab initio path integral molecular dynamics study</style>Drupal-Biblio17<style face="normal" font="default" size="100%">The large variation in acidity of diethylether cation induced by internal rotation around a single covalent bond</style>Drupal-Biblio17<style face="normal" font="default" size="100%">A New Interpretation of Semiclassical Transition Moments through Wavefunction Expansion of Dipole Moment Function with Application to the OH Stretching Spectra of Simple Acids and Alcohols</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Quantification of all four rotamers of m-methoxystyrene studied by resonant two-photon ionization and mass analyzed threshold ionization spectroscopy</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Theoretical vibrational spectra of OH−(H2O)2: Effect of quantum distribution and vibrational coupling</style>Drupal-Biblio17<style face="normal" font="default" size="100%">UV Absorption Spectrum of the C2 Criegee Intermediate CH3CHOO</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Why does the IR Spectra of Hydroxide Stretching Vibration weaken with increase in hydration?</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Multidimensional local mode calculations for the vibrational spectra of OH-(H2O)2 and OH-(H2O)2•Ar</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Multidimensional OH local mode calculations for OH-(H2O)3 ~ Importance of intermode anharmonicity ~</style>Drupal-Biblio17<style face="normal" font="default" size="100%">A study of resonance progressions in the F+HCl→Cl+HF reaction: A lifetime matrix analysis of pre-reactive and post-reactive collision complexes</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Assessment of density functional theory to calculate the phase transition pressure of ice at 0K</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Selectivity of Palladium-Cobalt Surface Alloy towards Oxygen Reduction Reaction</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Theoretical Study on the OH Vibrational Spectra of OH-(H2O)3 and OH-(H2O)4</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Will Water Act as a Photo-Catalyst for Cluster Phase Chemical Reactions? Vibrational Overtone Induced Dehydration of Methanediol</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Theoretical Calculation of the OH Vibrational Overtone Spectra of 1-5 Pentanediol and 1-6 Hexanediol</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Theoretical Calculation of the OH Vibrational Overtone Spectra of 1-n Alkane Diols (n=2-4): Origin of Disappearing Hydrogen Bonded OH Peak</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Dynamics and Spectroscopy of Vibrational Overtone Excited Glyxoylic Acid and 2,2-Dihydroxyacetic Acid in the Gas-Phase</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Gas Phase water mediated equilibrium between methylglyoxal and its geminal diol</style>Drupal-Biblio17<style face="normal" font="default" size="100%">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</style>