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Journal of Chemical Theory and Computation
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March 8, 2017
Empirical D3 Dispersion as a Replacement for ab Initio Dispersion Terms in Density Functional Theory-Based Symmetry-Adapted Perturbation Theory
Robert Sedlak, Jan Řezáč
The Journal of Physical Chemistry. A
|
March 8, 2011
On the nature of stabilization in weak, medium, and strong charge-transfer complexes: CCSD(T)/CBS and SAPT calculations
S Karthikeyan, Robert Sedlak, Pavel Hobza
Physical Chemistry Chemical Physics : PCCP
|
March 4, 2014
On the origin of the substantial stabilisation of the electron-donor 1,3-dithiole-2-thione-4-carboxyclic acid···I2 and DABCO···I2 complexes
Palanisamy Deepa, Robert Sedlak, Pavel Hobza
The Journal of Physical Chemistry. A
|
May 7, 2014
Why Is the L-Shaped Structure of X<sub>2</sub>···X<sub>2</sub> (X = F, Cl, Br, I) Complexes More Stable Than Other Structures?
Robert Sedlak, Palanisamy Deepa, Pavel Hobza
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 15, 2011
On the nature of the stabilization of benzene···dihalogen and benzene···dinitrogen complexes: CCSD(T)/CBS and DFT-SAPT calculations
Elango Munusamy, Robert Sedlak, Pavel Hobza
The Journal of Physical Chemistry. A
|
June 12, 2009
Hydrogen-bonded complexes of phenylacetylene with water, methanol, ammonia, and methylamine. The origin of methyl group-induced hydrogen bond switching
Robert Sedlak, Pavel Hobza, G Naresh Patwari
Journal of Chemical Theory and Computation
|
November 18, 2015
Polar flattening and the strength of halogen bonding
Robert Sedlak, Michal H Kolář, Pavel Hobza
The Journal of Physical Chemistry. A
|
April 27, 2013
Differences in the sublimation energy of benzene and hexahalogenbenzenes are caused by dispersion energy
Jakub Trnka, Robert Sedlak, Michal Kolář, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 6, 2017
The role of the σ-holes in stability of non-bonded chalcogenidebenzene interactions: the ground and excited states
Robert Sedlak, Saltuk M Eyrilmez, Pavel Hobza, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 24, 2009
Infrared-optical double resonance spectroscopic measurements and high level ab initio calculations on a binary complex between phenylacetylene and borane-trimethylamine. Understanding the role of C-H...pi interactions
Surajit Maity, Robert Sedlak, Pavel Hobza, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
March 8, 2017
Empirical D3 Dispersion as a Replacement for ab Initio Dispersion Terms in Density Functional Theory-Based Symmetry-Adapted Perturbation Theory
Robert Sedlak, Jan Řezáč
The Journal of Physical Chemistry. A
|
March 8, 2011
On the nature of stabilization in weak, medium, and strong charge-transfer complexes: CCSD(T)/CBS and SAPT calculations
S Karthikeyan, Robert Sedlak, Pavel Hobza
Physical Chemistry Chemical Physics : PCCP
|
March 4, 2014
On the origin of the substantial stabilisation of the electron-donor 1,3-dithiole-2-thione-4-carboxyclic acid···I2 and DABCO···I2 complexes
Palanisamy Deepa, Robert Sedlak, Pavel Hobza
The Journal of Physical Chemistry. A
|
May 7, 2014
Why Is the L-Shaped Structure of X<sub>2</sub>···X<sub>2</sub> (X = F, Cl, Br, I) Complexes More Stable Than Other Structures?
Robert Sedlak, Palanisamy Deepa, Pavel Hobza
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 15, 2011
On the nature of the stabilization of benzene···dihalogen and benzene···dinitrogen complexes: CCSD(T)/CBS and DFT-SAPT calculations
Elango Munusamy, Robert Sedlak, Pavel Hobza
The Journal of Physical Chemistry. A
|
June 12, 2009
Hydrogen-bonded complexes of phenylacetylene with water, methanol, ammonia, and methylamine. The origin of methyl group-induced hydrogen bond switching
Robert Sedlak, Pavel Hobza, G Naresh Patwari
Journal of Chemical Theory and Computation
|
November 18, 2015
Polar flattening and the strength of halogen bonding
Robert Sedlak, Michal H Kolář, Pavel Hobza
The Journal of Physical Chemistry. A
|
April 27, 2013
Differences in the sublimation energy of benzene and hexahalogenbenzenes are caused by dispersion energy
Jakub Trnka, Robert Sedlak, Michal Kolář, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 6, 2017
The role of the σ-holes in stability of non-bonded chalcogenidebenzene interactions: the ground and excited states
Robert Sedlak, Saltuk M Eyrilmez, Pavel Hobza, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 24, 2009
Infrared-optical double resonance spectroscopic measurements and high level ab initio calculations on a binary complex between phenylacetylene and borane-trimethylamine. Understanding the role of C-H...pi interactions
Surajit Maity, Robert Sedlak, Pavel Hobza, et al.
Page
of 2