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Chemistry

D-Index
49
Citations
9928
World Ranking
14723
National Ranking
68

Overview

Zdenek Havlas is affiliated with the Czech Academy of Sciences in the Czech Republic. Their research primarily falls within the fields of Engineering and Materials Science, with specific focus areas including Materials Chemistry, Electrical and Electronic Engineering, Biomedical Engineering, Inorganic Chemistry, and Physical and Theoretical Chemistry.

The scientist's work covers multiple topics related to advanced materials and photochemical processes. Key research subjects include organic electronics and photovoltaics, perovskite materials and their applications, silicon and solar cell technologies, porphyrin and phthalocyanine chemistry, surface chemistry and catalysis, metal-catalyzed oxygenation mechanisms, and photochemistry and electron transfer studies.

Zdenek Havlas has published in several notable scientific journals. Frequent publication venues include:

  • Chemistry of Materials
  • Inorganic Chemistry
  • Chemical Science
  • The Journal of Physical Chemistry A
  • The Journal of Physical Chemistry C

Among recent papers authored or coauthored by Havlas are:

  • "Inverse Design of Tetracene Polymorphs with Enhanced Singlet Fission Performance by Property-Based Genetic Algorithm Optimization" (2023), Chemistry of Materials
  • "Ab Initio Calculation of UV-vis Absorption of Parent Mg, Fe, Co, Ni, Cu, and Zn Metalloporphyrins" (2024), Inorganic Chemistry
  • "Uncovering intramolecular singlet fission at the root of the dual fluorescence of 1,4-bis(p-nitro-β-styryl)benzene in solution" (2025), Chemical Science
  • "Tribute to Josef Michl" (2021), The Journal of Physical Chemistry A
  • "Correction to 'Two Thin Film Polymorphs of the Singlet Fission Compound 1,3-Diphenylisobenzofuran'" (2022), The Journal of Physical Chemistry C

Frequent collaborators in their research include:

  • Josef Michl
  • Alexandr Zaykov
  • Justin C. Johnson
  • Rithwik Tom
  • Siyu Gao

Best Publications

  • Blue-Shifting Hydrogen Bonds.

    Pavel Hobza;Zdenek Havlas

  • Anti-hydrogen bond between chloroform and fluorobenzene

    Pavel Hobza;Vladimı́r Špirko;Zdeněk Havlas;Konstantin Buchhold

  • The fluoroform⋯ethylene oxide complex exhibits a C–H⋯O anti-hydrogen bond

    Pavel Hobza;Zdeněk Havlas

  • Improper, blue-shifting hydrogen bond

    Pavel Hobza;Zdenek Havlas

  • Piano-stool complexes of the CpML4 type

    Pavel Kubacek;Roald Hoffmann;Zdenek Havlas

  • DISTORTED MOLECULES : PERTURBATION DESIGN, PREPARATION AND STRUCTURES

    Hans Bock;Klaus Ruppert;Christian Näther;Zdenek Havlas

  • Racemization barriers of 1,1'-binaphthyl and 1,1'-binaphthalene-2,2'-diol: a DFT study.

    Ludek Meca;David Reha;Zdenek Havlas

  • Interaction of carboranes with biomolecules: formation of dihydrogen bonds.

    Jindřich Fanfrlík;Martin Lepšík;Dominik Horinek;Zdeněk Havlas

  • Theoretical Studies of Metal Ion Selectivity. 1. DFT Calculations of Interaction Energies of Amino Acid Side Chains with Selected Transition Metal Ions (Co<sup>2+</sup>, Ni<sup>2+</sup>, Cu<sup>2+</sup>, Zn<sup>2+</sup>, Cd<sup>2+</sup>, and Hg<sup>2+</sup>)

    Unknown

  • Verzerrte Moleküle : Störungsdesign, Synthesen und Strukturen

    Hans Bock;Klaus Ruppert;Christian Näther;Zdenek Havlas

  • An experimental and theoretical study of stereoselectivity of furan-maleic anhydride and furan-maleimide diels-alder reactions.

    Lubomír Rulísek;Pavel Sebek;Zdenek Havlas;Richard Hrabal

  • Improper, Blue-Shifting Hydrogen Bond between Fluorobenzene and Fluoroform†

    Bernd Reimann;Konstantin Buchhold;Sascha Vaupel;Bernhard Brutschy

  • Toward Designed Singlet Fission: Solution Photophysics of Two Indirectly Coupled Covalent Dimers of 1,3-Diphenylisobenzofuran

    Justin C. Johnson;Akin Akdag;Akin Akdag;Matibur Zamadar;Xudong Chen

  • Study of the nature of improper blue-shifting hydrogen bonding and standard hydrogen bonding in the X3CH...OH2 and XH...OH2 complexes (X = F, Cl, Br, I): A correlated Ab initio study.

    Wiktor Zierkiewicz;Danuta Michalska;Zdenek Havlas;Pavel Hobza

  • Search for a small chromophore with efficient singlet fission: biradicaloid heterocycles.

    Akin Akdag;Akin Akdag;Zdeněk Havlas;Zdeněk Havlas;Josef Michl;Josef Michl

  • Two Thin Film Polymorphs of the Singlet Fission Compound 1,3-Diphenylisobenzofuran

    Joseph L. Ryerson;Joseph L. Ryerson;Joel N. Schrauben;Andrew J. Ferguson;Subash Chandra Sahoo

  • Toward designed singlet fission: electronic states and photophysics of 1,3-diphenylisobenzofuran.

    Andrew F. Schwerin;Justin C. Johnson;Millicent B. Smith;Paiboon Sreearunothai

  • Captodatively Stabilized Biradicaloids as Chromophores for Singlet Fission

    Jin Wen;Zdenĕk Havlas;Josef Michl;Josef Michl

  • Triisopropylamine: A Sterically Overcrowded Molecule with a Flattened NC3 Pyramid and a “p‐Type” Nitrogen Electron Pair

    Hans Bock;Ilka Goebel;Zdenek Havlas;Siegfried Liedle

  • On the Convergence of the Physicochemical Properties of [n]Helicenes

    Lubomír Rulíšek;Otto Exner;Lukasz Cwiklik;Pavel Jungwirth

  • Pentaisopropylcyclopentadienyl: singlet anion, doublet radical, and triplet cation of a carbocyclic .pi. system

    H. Sitzmann;H. Bock;R. Boese;T. Dezember

Frequent Co-Authors

Hans Bock
Hans Bock Goethe University Frankfurt
Christian Näther
Christian Näther Kiel University
Josef Michl
Josef Michl University of Colorado Boulder
Jan W. Bats
Jan W. Bats Goethe University Frankfurt
František Tureček
František Tureček University of Washington
Angelo Gavezzotti
Angelo Gavezzotti University of Milan
Pavel Hobza
Pavel Hobza Czech Academy of Sciences
Roald Hoffmann
Roald Hoffmann Cornell University
Lubomír Rulíšek
Lubomír Rulíšek Czech Academy of Sciences
Arndt Simon
Arndt Simon Max Planck Society

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