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Pavel Hobza

Showing results (1-10 of 274) with videos related to

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Accounts of Chemical Research|January 10, 2012
Calculations on noncovalent interactions and databases of benchmark interaction energiesPavel Hobza
Journal of Chemical Theory and Computation|December 2, 2015
Benzene Dimer: Dynamic Structure and Thermodynamics Derived from On-the-Fly ab initio DFT-D Molecular Dynamic SimulationsJan Řezáč, Pavel Hobza
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 4, 2006
Theoretical investigations into the blue-shifting hydrogen bond in benzene complexesVladimír Spirko, Pavel Hobza
Physical Chemistry Chemical Physics : PCCP|June 30, 2018
Understanding the non-covalent interaction mediated modulations on the electronic structure of quasi-zero-dimensional graphene nanoflakesAmrit Sarmah, Pavel Hobza
Journal of Chemical Theory and Computation|November 21, 2015
Ab Initio Quantum Mechanical Description of Noncovalent Interactions at Its Limits: Approaching the Experimental Dissociation Energy of the HF DimerJan Řezáč, Pavel Hobza
Journal of Chemical Theory and Computation|November 24, 2015
Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical MethodsJan Řezáč, Pavel Hobza
Nanoscale Advances|September 22, 2022
Mechanical force-induced manipulation of electronic conductance in a spin-crossover complex: a simple approach to molecular electronicsAmrit Sarmah, Pavel Hobza
Journal of Chemical Theory and Computation|November 27, 2015
On the Nature of Bonding in Lone Pair···π-Electron Complexes: CCSD(T)/Complete Basis Set Limit CalculationsJiong Ran, Pavel Hobza
The Journal of Physical Chemistry. B|July 21, 2006
Na+, Mg2+, and Zn2+ binding to all tautomers of adenine, cytosine, and thymine and the eight most stable keto/enol tautomers of guanine: a correlated ab initio quantum chemical studyMartin Kabelác, Pavel Hobza
RSC Advances|May 11, 2022
Sequential BN-doping induced tuning of electronic properties in zigzag-edged graphene nanoribbons: a computational approachAmrit Sarmah, Pavel Hobza
Pageof 28

Showing results (1-10 of 274) with videos related to

Sort By:
Pageof 28
Accounts of Chemical Research|January 10, 2012
Calculations on noncovalent interactions and databases of benchmark interaction energiesPavel Hobza
Journal of Chemical Theory and Computation|December 2, 2015
Benzene Dimer: Dynamic Structure and Thermodynamics Derived from On-the-Fly ab initio DFT-D Molecular Dynamic SimulationsJan Řezáč, Pavel Hobza
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 4, 2006
Theoretical investigations into the blue-shifting hydrogen bond in benzene complexesVladimír Spirko, Pavel Hobza
Physical Chemistry Chemical Physics : PCCP|June 30, 2018
Understanding the non-covalent interaction mediated modulations on the electronic structure of quasi-zero-dimensional graphene nanoflakesAmrit Sarmah, Pavel Hobza
Journal of Chemical Theory and Computation|November 21, 2015
Ab Initio Quantum Mechanical Description of Noncovalent Interactions at Its Limits: Approaching the Experimental Dissociation Energy of the HF DimerJan Řezáč, Pavel Hobza
Journal of Chemical Theory and Computation|November 24, 2015
Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical MethodsJan Řezáč, Pavel Hobza
Nanoscale Advances|September 22, 2022
Mechanical force-induced manipulation of electronic conductance in a spin-crossover complex: a simple approach to molecular electronicsAmrit Sarmah, Pavel Hobza
Journal of Chemical Theory and Computation|November 27, 2015
On the Nature of Bonding in Lone Pair···π-Electron Complexes: CCSD(T)/Complete Basis Set Limit CalculationsJiong Ran, Pavel Hobza
The Journal of Physical Chemistry. B|July 21, 2006
Na+, Mg2+, and Zn2+ binding to all tautomers of adenine, cytosine, and thymine and the eight most stable keto/enol tautomers of guanine: a correlated ab initio quantum chemical studyMartin Kabelác, Pavel Hobza
RSC Advances|May 11, 2022
Sequential BN-doping induced tuning of electronic properties in zigzag-edged graphene nanoribbons: a computational approachAmrit Sarmah, Pavel Hobza
Pageof 28