Pavel Hobza

1. Definition of the hydrogen bond (IUPAC Recommendations 2011)
   2011/07/08 by Elangannan Arunan, E. Arunan, Gautam R. Desiraju +14 · 53 citations
   Chemistry · #Crystallography and molecular interactions #Various Chemistry Research Topics #Chemical Thermodynamics and Molecular Structure
2. Blue-Shifting Hydrogen Bonds
   2000/09/14 by Pavel Hobza, Zdeněk Havlas · 2 citations
   Physics and Astronomy · Chemistry · #Advanced Chemical Physics Studies #Crystallography and molecular interactions #Molecular Spectroscopy and Structure
3. Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculations
   2006/12/21 by Petr Jurečka, Jiří Černý, Pavel Hobza +1 · 2 citations
   Biochemistry, Genetics and Molecular Biology · Chemistry · Physics and Astronomy · Mathematics · #DNA and Nucleic Acid Chemistry #Crystallography and molecular interactions #Advanced Chemical Physics Studies #Basis set #Density functional theory #van der Waals force #Ab initio #Dispersion (optics) #Wave function #Chemistry #Scaling #London dispersion force #Computational chemistry #Linear scale #Function (biology) #Statistical physics #Molecular physics #Quantum mechanics #Physics #Mathematics #Molecule #Geometry
4. Unexpectedly Strong Energy Stabilization Inside the Hydrophobic Core of Small Protein Rubredoxin Mediated by Aromatic Residues: Correlated Ab Initio Quantum Chemical Calculations
   2005/02/05 by Jiřı́ Vondrášek, Lada Bendová, Vojtěch Klusák +1 · 2 citations
   Biochemistry, Genetics and Molecular Biology · Chemistry · #Hemoglobin structure and function #Protein Structure and Dynamics #Porphyrin Metabolism and Disorders #Rubredoxin #Chemistry #Ab initio #Quantum chemical #Computational chemistry #Core (optical fiber) #Chemical physics #Crystallography #Molecule #Organic chemistry
5. Similarities and Differences of Hydridic and Protonic Hydrogen Bonding
   2024/05/21 by Maximilián Lamanec, Jitka Zienertová, Matěj Špeťko +2 · 1 voice · 3 citations
   Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Crystallography and molecular interactions #Molecular Spectroscopy and Structure
6. Blue shifts vs red shifts in σ-hole bonding
   2008/04/25 by Jane S. Murray, Monica C. Concha, Pat Lane +2 · 1 citation
   Chemistry · Materials Science · #Crystallography and molecular interactions #Molecular Spectroscopy and Structure #Solid-state spectroscopy and crystallography