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Physical Chemistry Chemical Physics : PCCP
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November 8, 2017
Approximate solution of coupled cluster equations: application to the coupled cluster doubles method and non-covalent interacting systems
Szymon Smiga, Eduardo Fabiano
Journal of Chemical Theory and Computation
|
March 7, 2025
Understanding the Core Limitations of Second-Order Correlation-Based Functionals Through: Functional, Orbital, and Eigenvalue-Driven Analysis
Aditi Singh, Eduardo Fabiano, Szymon Śmiga
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
April 28, 2009
Photoinduced nonadiabatic dynamics of 9H-guanine
Zhenggang Lan, Eduardo Fabiano, Walter Thiel
The Journal of Physical Chemistry. B
|
February 26, 2009
Photoinduced nonadiabatic dynamics of pyrimidine nucleobases: on-the-fly surface-hopping study with semiempirical methods
Zhenggang Lan, Eduardo Fabiano, Walter Thiel
The Journal of Chemical Physics
|
March 25, 2014
Frozen density embedding with non-integer subsystems' particle numbers
Eduardo Fabiano, Savio Laricchia, Fabio Della Sala
Physical Chemistry Chemical Physics : PCCP
|
August 15, 2013
A simple non-empirical procedure for spin-component-scaled MP2 methods applied to the calculation of the dissociation energy curve of noncovalently-interacting systems
Ireneusz Grabowski, Eduardo Fabiano, Fabio Della Sala
Journal of Chemical Theory and Computation
|
April 10, 2019
Performance of Semilocal Kinetic Energy Functionals for Orbital-Free Density Functional Theory
Lucian A Constantin, Eduardo Fabiano, Fabio Della Sala
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
June 16, 2011
QM/MM nonadiabatic decay dynamics of 9H-adenine in aqueous solution
Zhenggang Lan, You Lu, Eduardo Fabiano, et al.
The Journal of Physical Chemistry Letters
|
July 19, 2018
Semilocal Pauli-Gaussian Kinetic Functionals for Orbital-Free Density Functional Theory Calculations of Solids
Lucian A Constantin, Eduardo Fabiano, Fabio Della Sala
The Journal of Chemical Physics
|
November 28, 2012
Spin-dependent gradient correction for more accurate atomization energies of molecules
Lucian A Constantin, Eduardo Fabiano, Fabio Della Sala
Page
of 6
Search research articles
Search
Showing results (1-10 of 52) with videos related to
Sort By:
Page
of 6
Physical Chemistry Chemical Physics : PCCP
|
November 8, 2017
Approximate solution of coupled cluster equations: application to the coupled cluster doubles method and non-covalent interacting systems
Szymon Smiga, Eduardo Fabiano
Journal of Chemical Theory and Computation
|
March 7, 2025
Understanding the Core Limitations of Second-Order Correlation-Based Functionals Through: Functional, Orbital, and Eigenvalue-Driven Analysis
Aditi Singh, Eduardo Fabiano, Szymon Śmiga
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
April 28, 2009
Photoinduced nonadiabatic dynamics of 9H-guanine
Zhenggang Lan, Eduardo Fabiano, Walter Thiel
The Journal of Physical Chemistry. B
|
February 26, 2009
Photoinduced nonadiabatic dynamics of pyrimidine nucleobases: on-the-fly surface-hopping study with semiempirical methods
Zhenggang Lan, Eduardo Fabiano, Walter Thiel
The Journal of Chemical Physics
|
March 25, 2014
Frozen density embedding with non-integer subsystems' particle numbers
Eduardo Fabiano, Savio Laricchia, Fabio Della Sala
Physical Chemistry Chemical Physics : PCCP
|
August 15, 2013
A simple non-empirical procedure for spin-component-scaled MP2 methods applied to the calculation of the dissociation energy curve of noncovalently-interacting systems
Ireneusz Grabowski, Eduardo Fabiano, Fabio Della Sala
Journal of Chemical Theory and Computation
|
April 10, 2019
Performance of Semilocal Kinetic Energy Functionals for Orbital-Free Density Functional Theory
Lucian A Constantin, Eduardo Fabiano, Fabio Della Sala
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
June 16, 2011
QM/MM nonadiabatic decay dynamics of 9H-adenine in aqueous solution
Zhenggang Lan, You Lu, Eduardo Fabiano, et al.
The Journal of Physical Chemistry Letters
|
July 19, 2018
Semilocal Pauli-Gaussian Kinetic Functionals for Orbital-Free Density Functional Theory Calculations of Solids
Lucian A Constantin, Eduardo Fabiano, Fabio Della Sala
The Journal of Chemical Physics
|
November 28, 2012
Spin-dependent gradient correction for more accurate atomization energies of molecules
Lucian A Constantin, Eduardo Fabiano, Fabio Della Sala
Page
of 6