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List of works by H. Bernhard Schlegel

A new electron-ion coincidence 3D momentum-imaging method and its application in probing strong field dynamics of 2-phenylethyl-N, N-dimethylamine.

scientific article

A pentadentate nitrogen-rich copper electrocatalyst for water reduction with pH-dependent molecular mechanisms.

scientific article

Angular Dependence of Ionization by Circularly Polarized Light Calculated with Time-Dependent Configuration Interaction with an Absorbing Potential

scientific article published on 18 January 2017

Angular Dependence of Strong Field Ionization of CH3X (X = F, Cl, Br, or I) Using Time-Dependent Configuration Interaction with an Absorbing Potential.

scientific article

Angular dependence of strong field sequential double ionization for neon and acetylene simulated with time-dependent configuration interaction using CIS and CISD-IP

scientific article published on 01 February 2020

Are Brønsted Acids the True Promoter of Metal-Triflate-Catalyzed Glycosylations? A Mechanistic Probe into 1,2-cis-Aminoglycoside Formation by Nickel Triflate

scientific article published on 24 January 2019

Attosecond Imaging of Electronic Wave Packets

scientific article published in 2023

Computational Investigation into the Oxidation of Guanine to Form Imidazolone (Iz) and Related Degradation Products

scientific article published on 20 March 2020

Computational Study of Oxidation of Guanine by Singlet Oxygen (1 Δg ) and Formation of Guanine:Lysine Cross-Links

scientific article

Computational Study of the Formation of C8, C5, and C4 Guanine:Lysine Adducts via Oxidation of Guanine by Sulfate Radical Anion

scientific article published on 06 June 2019

Computational Study of the Oxidation of Guanine To Form 5-Carboxyamido-5-formamido-2-iminohydantoin (2Ih)

scientific article published on 15 October 2019

Computational Study of the pH-Dependent Competition between Carbonate and Thymine Addition to the Guanine Radical

scientific article published on 10 January 2019

Controlling the strong field fragmentation of ClCHO using two laser pulses -an ab initio molecular dynamics simulation

scientific article published on 14 October 2018

DFT Investigation of Ligand Photodissociation in [RuII(tpy)(bpy)(py)]2+ and [RuII(tpy)(Me2bpy)(py)]2+ Complexes.

scientific article published on 19 December 2017

Disentangling Strong-Field Multielectron Dynamics with Angular Streaking

scientific article published on 05 May 2018

Effect of spin-orbit coupling on strong field ionization simulated with time-dependent configuration interaction

scientific article published on 01 December 2020

Immobilization of an Amphiphilic Molecular Cobalt Catalyst on Carbon Black for Ligand-Assisted Water Oxidation

scientific article published on 14 May 2018

Improved pKa Prediction of Substituted Alcohols, Phenols, and Hydroperoxides in Aqueous Medium Using Density Functional Theory and a Cluster-Continuum Solvation Model

scientific article published on 31 May 2017

Synthetic and Computational Study of Tin-Free Reductive Tandem Cyclizations of Neutral Aminyl Radicals

scientific article published on 28 September 2018

Virtual Issue on Strong Field Chemistry

scientific article published on 01 May 2019

Virtual Issue on Strong Field Chemistry

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