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The Journal of Chemical Physics
|
November 25, 2010
Quantum computing applied to calculations of molecular energies: CH2 benchmark
Libor Veis, Jiří Pittner
The Journal of Chemical Physics
|
March 24, 2017
A new approach to molecular dynamics with non-adiabatic and spin-orbit effects with applications to QM/MM simulations of thiophene and selenophene
Marek Pederzoli, Jiří Pittner
The Journal of Chemical Physics
|
June 9, 2014
Adiabatic state preparation study of methylene
Libor Veis, Jiří Pittner
Journal of Chemical Theory and Computation
|
November 18, 2015
A Local Pair Natural Orbital-Based Multireference Mukherjee's Coupled Cluster Method
Ondřej Demel, Jiří Pittner, Frank Neese
The Journal of Chemical Physics
|
October 15, 2010
Uncoupled multireference state-specific Mukherjee's coupled cluster method with triexcitations
Ondřej Demel, Kiran Bhaskaran-Nair, Jiří Pittner
The Journal of Chemical Physics
|
November 3, 2016
Perturbative universal state-selective correction for state-specific multi-reference coupled cluster methods
Jiri Brabec, Subrata Banik, Karol Kowalski, et al.
The Journal of Physical Chemistry. A
|
June 22, 2011
Nonadiabatic molecular dynamics study of the cis-trans photoisomerization of azobenzene excited to the S1 state
Marek Pederzoli, Jiří Pittner, Mario Barbatti, et al.
Journal of Computational Chemistry
|
March 11, 2025
Quantum Chemical and Trajectory Surface Hopping Molecular Dynamics Study of Iodine-Based BODIPY Photosensitizer
Mirza Wasif Baig, Marek Pederzoli, Mojmír Kývala, et al.
Journal of Chemical Theory and Computation
|
March 24, 2023
Vertical Excitation Energies and Lifetimes of the Two Lowest Singlet Excited States of Cytosine, 5-Aza-cytosine, and the Triazine Family: Quantum Mechanics-Molecular Mechanics Studies
Ondřej Tichý, Marek Pederzoli, Jiří Pittner, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 25, 2024
Heteroatom-vacancy centres in molecular nanodiamonds: a computational study of organic molecules possessing triplet ground states through σ-overlap
Colette Maya Macarios, Jiří Pittner, Viki Kumar Prasad, et al.
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Search research articles
Search
Showing results (1-10 of 39) with videos related to
Sort By:
Page
of 4
The Journal of Chemical Physics
|
November 25, 2010
Quantum computing applied to calculations of molecular energies: CH2 benchmark
Libor Veis, Jiří Pittner
The Journal of Chemical Physics
|
March 24, 2017
A new approach to molecular dynamics with non-adiabatic and spin-orbit effects with applications to QM/MM simulations of thiophene and selenophene
Marek Pederzoli, Jiří Pittner
The Journal of Chemical Physics
|
June 9, 2014
Adiabatic state preparation study of methylene
Libor Veis, Jiří Pittner
Journal of Chemical Theory and Computation
|
November 18, 2015
A Local Pair Natural Orbital-Based Multireference Mukherjee's Coupled Cluster Method
Ondřej Demel, Jiří Pittner, Frank Neese
The Journal of Chemical Physics
|
October 15, 2010
Uncoupled multireference state-specific Mukherjee's coupled cluster method with triexcitations
Ondřej Demel, Kiran Bhaskaran-Nair, Jiří Pittner
The Journal of Chemical Physics
|
November 3, 2016
Perturbative universal state-selective correction for state-specific multi-reference coupled cluster methods
Jiri Brabec, Subrata Banik, Karol Kowalski, et al.
The Journal of Physical Chemistry. A
|
June 22, 2011
Nonadiabatic molecular dynamics study of the cis-trans photoisomerization of azobenzene excited to the S1 state
Marek Pederzoli, Jiří Pittner, Mario Barbatti, et al.
Journal of Computational Chemistry
|
March 11, 2025
Quantum Chemical and Trajectory Surface Hopping Molecular Dynamics Study of Iodine-Based BODIPY Photosensitizer
Mirza Wasif Baig, Marek Pederzoli, Mojmír Kývala, et al.
Journal of Chemical Theory and Computation
|
March 24, 2023
Vertical Excitation Energies and Lifetimes of the Two Lowest Singlet Excited States of Cytosine, 5-Aza-cytosine, and the Triazine Family: Quantum Mechanics-Molecular Mechanics Studies
Ondřej Tichý, Marek Pederzoli, Jiří Pittner, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 25, 2024
Heteroatom-vacancy centres in molecular nanodiamonds: a computational study of organic molecules possessing triplet ground states through σ-overlap
Colette Maya Macarios, Jiří Pittner, Viki Kumar Prasad, et al.
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