Search research articles
Contact Us
Filters
Showing results (1-10 of 45) with videos related to
Page
of 5
Sort By:
The Journal of Chemical Physics
|
September 17, 2015
High precision quantum-chemical treatment of adsorption: Benchmarking physisorption of molecular hydrogen on graphane
Denis Usvyat
The Journal of Chemical Physics
|
December 11, 2013
Linear-scaling explicitly correlated treatment of solids: periodic local MP2-F12 method
Denis Usvyat
Journal of Chemical Theory and Computation
|
November 24, 2015
Incrementally Corrected Periodic Local MP2 Calculations: I. The Cohesive Energy of Molecular Crystals
Carsten Müller, Denis Usvyat
The Journal of Chemical Physics
|
July 3, 2014
Efficient and accurate treatment of weak pairs in local CCSD(T) calculations. II. Beyond the ring approximation
Martin Schütz, Oliver Masur, Denis Usvyat
Journal of Chemical Theory and Computation
|
January 1, 2019
Chemically Accurate Adsorption Energies: CO and H<sub>2</sub>O on the MgO(001) Surface
Maristella Alessio, Denis Usvyat, Joachim Sauer
The Journal of Chemical Physics
|
September 17, 2015
Periodic local MP2 method employing orbital specific virtuals
Denis Usvyat, Lorenzo Maschio, Martin Schütz
The Journal of Chemical Physics
|
November 5, 2013
Efficient and accurate treatment of weak pairs in local CCSD(T) calculations
Oliver Masur, Denis Usvyat, Martin Schütz
Physical Chemistry Chemical Physics : PCCP
|
June 7, 2008
On the use of the Laplace transform in local correlation methods
Danylo Kats, Denis Usvyat, Martin Schütz
Journal of Chemical Theory and Computation
|
November 7, 2024
A Case Study of an Energy Barrier in Li-Ion Battery Cathode Material Using DFT and Post-HF Approaches
Laura Bonometti, Denis Usvyat, Lorenzo Maschio
The Journal of Chemical Physics
|
March 10, 2011
Local ab initio methods for calculating optical band gaps in periodic systems. I. Periodic density fitted local configuration interaction singles method for polymers
Marco Lorenz, Denis Usvyat, Martin Schütz
Page
of 5
Search research articles
Search
Showing results (1-10 of 45) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
September 17, 2015
High precision quantum-chemical treatment of adsorption: Benchmarking physisorption of molecular hydrogen on graphane
Denis Usvyat
The Journal of Chemical Physics
|
December 11, 2013
Linear-scaling explicitly correlated treatment of solids: periodic local MP2-F12 method
Denis Usvyat
Journal of Chemical Theory and Computation
|
November 24, 2015
Incrementally Corrected Periodic Local MP2 Calculations: I. The Cohesive Energy of Molecular Crystals
Carsten Müller, Denis Usvyat
The Journal of Chemical Physics
|
July 3, 2014
Efficient and accurate treatment of weak pairs in local CCSD(T) calculations. II. Beyond the ring approximation
Martin Schütz, Oliver Masur, Denis Usvyat
Journal of Chemical Theory and Computation
|
January 1, 2019
Chemically Accurate Adsorption Energies: CO and H<sub>2</sub>O on the MgO(001) Surface
Maristella Alessio, Denis Usvyat, Joachim Sauer
The Journal of Chemical Physics
|
September 17, 2015
Periodic local MP2 method employing orbital specific virtuals
Denis Usvyat, Lorenzo Maschio, Martin Schütz
The Journal of Chemical Physics
|
November 5, 2013
Efficient and accurate treatment of weak pairs in local CCSD(T) calculations
Oliver Masur, Denis Usvyat, Martin Schütz
Physical Chemistry Chemical Physics : PCCP
|
June 7, 2008
On the use of the Laplace transform in local correlation methods
Danylo Kats, Denis Usvyat, Martin Schütz
Journal of Chemical Theory and Computation
|
November 7, 2024
A Case Study of an Energy Barrier in Li-Ion Battery Cathode Material Using DFT and Post-HF Approaches
Laura Bonometti, Denis Usvyat, Lorenzo Maschio
The Journal of Chemical Physics
|
March 10, 2011
Local ab initio methods for calculating optical band gaps in periodic systems. I. Periodic density fitted local configuration interaction singles method for polymers
Marco Lorenz, Denis Usvyat, Martin Schütz
Page
of 5