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List of works by Zdeněk Havlas

1,2-Diphenylbenzene dianion: alkali-metal salts with drastically spread C6 rings

scientific article published in September 2003

Ab initio electronic structure of thymine anions

scientific article published in March 2005

An empirical potential for interactions of large molecules: Application to binding of dipeptides to DNA

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

scientific article published in August 2005

Aromatic substitution with hypercloso C(BCH3)11: a new mechanism

scientific article published on 15 March 2007

Blue-Shifting Hydrogen Bonds

scientific article published in November 2000

CB11Me11 boronium ylides: carba-closo-dodecaboranes with a naked boron vertex

scientific article published on 01 May 2006

Efficiency of a second-generation HIV-1 protease inhibitor studied by molecular dynamics and absolute binding free energy calculations.

scientific article published in November 2004

HCB11(CF3)nF11-n−: Inert Anions with High Anodic Oxidation Potentials ⬇️

scientific article published on February 22, 2011

Higher metal-ligand coordination in the catalytic site of cobalt-substituted Thermoanaerobacter brockii alcohol dehydrogenase lowers the barrier for enzyme catalysis

scientific article

Improper, blue-shifting hydrogen bond

article published in 2002

Interaction of Carboranes with Biomolecules: Formation of Dihydrogen Bonds

scientific article published on 01 May 2006

Metal cation-methyl interactions in CB11Me12(-) salts of Me3Ge+, Me3Sn+, and Me3Pb+

scientific article published on 01 September 2004

Molecular design of specific metal-binding peptide sequences from protein fragments: theory and experiment

scientific article

Novel acyclic nucleoside phosphonate analogues with potent anti-hepatitis B virus activities

scientific article published on March 2005

Prediction of an inverse heavy-atom effect in H-C-CH(2)Br: bromine substituent as a pi acceptor

scientific article

Quantum chemical calculation of the (S)-9-(2,3-dihydroxypropyl)adenine molecule.

scientific article

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

scientific article published on July 2003

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

scientific article published on 23 August 2012

Sexual attraction in the silkworm moth. Nature of binding of bombykol in pheromone binding protein--an ab initio study.

scientific article

Single crystals of an ionic anthracene aggregate with a triplet ground state

scientific article published on 01 March 2000

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

scientific article published in June 2002

Substituent effect on exo stereoselectivity in the 1,3-Dipolar cycloaddition reaction of tulipalin A with nitrile ylides

scientific article

The Li(+)-Initiated Twofold Dehydrogenation and C-C Bond Formation of Hexaphenylbenzene to the Dilithium Salt of the 9,10-Diphenyltetrabenz

scientific article published on 01 August 1999

The nature of improper, blue-shifting hydrogen bonding verified experimentally.

scientific article published in December 2001

The sixteen CB(11)H(n)Me(12-n)(-) anions with fivefold substitution symmetry: anodic oxidation and electronic structure

scientific article published on 05 October 2007

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

scientific article published in January 2010

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