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Physical Chemistry Chemical Physics : PCCP
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March 4, 2017
Dispersion interactions in silicon allotropes
Antti J Karttunen, Denis Usvyat, Martin Schütz, et al.
The Journal of Physical Chemistry Letters
|
December 15, 2015
Toward an Accurate Estimate of the Exfoliation Energy of Black Phosphorus: A Periodic Quantum Chemical Approach
Giuseppe Sansone, Lorenzo Maschio, Denis Usvyat, et al.
The Journal of Chemical Physics
|
April 2, 2009
Comment on "Minimax approximation for the decomposition of energy denominators in Laplace-transformed Møller-Plesset perturbation theories" [J. Chem. Phys. 129, 044112 (2008)]
Danylo Kats, Denis Usvyat, Stefan Loibl, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 1, 2011
On the physisorption of water on graphene: a CCSD(T) study
Elena Voloshina, Denis Usvyat, Martin Schütz, et al.
Journal of Chemical Theory and Computation
|
October 19, 2020
Fragment-Based Restricted Active Space Configuration Interaction with Second-Order Corrections Embedded in Periodic Hartree-Fock Wave Function
Hung-Hsuan Lin, Lorenzo Maschio, Daniel Kats, et al.
The Journal of Chemical Physics
|
June 18, 2026
Application of the aperiodic defect model to a negatively charged monovacancy in phosphorene
Charlotte Rickert, Lily Barta, Ernst-Christian Flach, et al.
Journal of Computational Chemistry
|
May 14, 2008
Periodic local MP2 method for the study of electronic correlation in crystals: Theory and preliminary applications
Cesare Pisani, Lorenzo Maschio, Silvia Casassa, et al.
The Journal of Chemical Physics
|
June 14, 2011
Approaching the theoretical limit in periodic local MP2 calculations with atomic-orbital basis sets: the case of LiH
Denis Usvyat, Bartolomeo Civalleri, Lorenzo Maschio, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 11, 2019
Evolutionary Algorithm-Based Crystal Structure Prediction for Copper(I) Fluoride
Mikhail S Kuklin, Lorenzo Maschio, Denis Usvyat, et al.
The Journal of Chemical Physics
|
September 17, 2015
Range-separated double-hybrid density-functional theory applied to periodic systems
Giuseppe Sansone, Bartolomeo Civalleri, Denis Usvyat, et al.
Page
of 5
Search research articles
Search
Showing results (21-30 of 45) with videos related to
Sort By:
Page
of 5
Physical Chemistry Chemical Physics : PCCP
|
March 4, 2017
Dispersion interactions in silicon allotropes
Antti J Karttunen, Denis Usvyat, Martin Schütz, et al.
The Journal of Physical Chemistry Letters
|
December 15, 2015
Toward an Accurate Estimate of the Exfoliation Energy of Black Phosphorus: A Periodic Quantum Chemical Approach
Giuseppe Sansone, Lorenzo Maschio, Denis Usvyat, et al.
The Journal of Chemical Physics
|
April 2, 2009
Comment on "Minimax approximation for the decomposition of energy denominators in Laplace-transformed Møller-Plesset perturbation theories" [J. Chem. Phys. 129, 044112 (2008)]
Danylo Kats, Denis Usvyat, Stefan Loibl, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 1, 2011
On the physisorption of water on graphene: a CCSD(T) study
Elena Voloshina, Denis Usvyat, Martin Schütz, et al.
Journal of Chemical Theory and Computation
|
October 19, 2020
Fragment-Based Restricted Active Space Configuration Interaction with Second-Order Corrections Embedded in Periodic Hartree-Fock Wave Function
Hung-Hsuan Lin, Lorenzo Maschio, Daniel Kats, et al.
The Journal of Chemical Physics
|
June 18, 2026
Application of the aperiodic defect model to a negatively charged monovacancy in phosphorene
Charlotte Rickert, Lily Barta, Ernst-Christian Flach, et al.
Journal of Computational Chemistry
|
May 14, 2008
Periodic local MP2 method for the study of electronic correlation in crystals: Theory and preliminary applications
Cesare Pisani, Lorenzo Maschio, Silvia Casassa, et al.
The Journal of Chemical Physics
|
June 14, 2011
Approaching the theoretical limit in periodic local MP2 calculations with atomic-orbital basis sets: the case of LiH
Denis Usvyat, Bartolomeo Civalleri, Lorenzo Maschio, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 11, 2019
Evolutionary Algorithm-Based Crystal Structure Prediction for Copper(I) Fluoride
Mikhail S Kuklin, Lorenzo Maschio, Denis Usvyat, et al.
The Journal of Chemical Physics
|
September 17, 2015
Range-separated double-hybrid density-functional theory applied to periodic systems
Giuseppe Sansone, Bartolomeo Civalleri, Denis Usvyat, et al.
Page
of 5