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Journal of the American Chemical Society
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March 30, 2018
From Static to Dynamic: Electron Density of HOMO at Biaryl Linkage Controls the Mechanism of Hole Delocalization
Maxim V Ivanov, Denan Wang, Rajendra Rathore
The Journal of Physical Chemistry Letters
|
March 4, 2020
Long-Range N-N Bonding by Rydberg Electrons
Maxim V Ivanov, Anna I Krylov, Shmuel Zilberg
The Journal of Physical Chemistry Letters
|
January 25, 2020
Two Cycling Centers in One Molecule: Communication by Through-Bond Interactions and Entanglement of the Unpaired Electrons
Maxim V Ivanov, Sahil Gulania, Anna I Krylov
The Journal of Physical Chemistry Letters
|
June 29, 2018
Game of Frontier Orbitals: A View on the Rational Design of Novel Charge-Transfer Materials
Maxim V Ivanov, Scott A Reid, Rajendra Rathore
The Journal of Physical Chemistry. A
|
July 19, 2019
Improving Performance of the SMD Solvation Model: Bondi Radii Improve Predicted Aqueous Solvation Free Energies of Ions and p<i>K</i><sub>a</sub> Values of Thiols
Saber Mirzaei, Maxim V Ivanov, Qadir K Timerghazin
Chemical Communications (Cambridge, England)
|
February 17, 2017
Isolation of a chiral anthracene cation radical: X-ray crystallography and computational interrogation of its racemization
Maxim V Ivanov, Khushabu Thakur, Anshul Bhatnagar, et al.
The Journal of Physical Chemistry. A
|
February 5, 2015
Genetic algorithm optimization of point charges in force field development: challenges and insights
Maxim V Ivanov, Marat R Talipov, Qadir K Timerghazin
The Journal of Chemical Physics
|
October 10, 2015
Electrostatic point charge fitting as an inverse problem: Revealing the underlying ill-conditioning
Maxim V Ivanov, Marat R Talipov, Qadir K Timerghazin
Physical Chemistry Chemical Physics : PCCP
|
August 29, 2019
Towards a rational design of laser-coolable molecules: insights from equation-of-motion coupled-cluster calculations
Maxim V Ivanov, Felix H Bangerter, Anna I Krylov
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
May 18, 2017
Unraveling the Coulombic Forces in Electronically Decoupled Bichromophoric Systems during Two Successive Electron Transfers
Maxim V Ivanov, Shriya H Wadumethrige, Denan Wang, et al.
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Search research articles
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Showing results (1-10 of 32) with videos related to
Sort By:
Page
of 4
Journal of the American Chemical Society
|
March 30, 2018
From Static to Dynamic: Electron Density of HOMO at Biaryl Linkage Controls the Mechanism of Hole Delocalization
Maxim V Ivanov, Denan Wang, Rajendra Rathore
The Journal of Physical Chemistry Letters
|
March 4, 2020
Long-Range N-N Bonding by Rydberg Electrons
Maxim V Ivanov, Anna I Krylov, Shmuel Zilberg
The Journal of Physical Chemistry Letters
|
January 25, 2020
Two Cycling Centers in One Molecule: Communication by Through-Bond Interactions and Entanglement of the Unpaired Electrons
Maxim V Ivanov, Sahil Gulania, Anna I Krylov
The Journal of Physical Chemistry Letters
|
June 29, 2018
Game of Frontier Orbitals: A View on the Rational Design of Novel Charge-Transfer Materials
Maxim V Ivanov, Scott A Reid, Rajendra Rathore
The Journal of Physical Chemistry. A
|
July 19, 2019
Improving Performance of the SMD Solvation Model: Bondi Radii Improve Predicted Aqueous Solvation Free Energies of Ions and p<i>K</i><sub>a</sub> Values of Thiols
Saber Mirzaei, Maxim V Ivanov, Qadir K Timerghazin
Chemical Communications (Cambridge, England)
|
February 17, 2017
Isolation of a chiral anthracene cation radical: X-ray crystallography and computational interrogation of its racemization
Maxim V Ivanov, Khushabu Thakur, Anshul Bhatnagar, et al.
The Journal of Physical Chemistry. A
|
February 5, 2015
Genetic algorithm optimization of point charges in force field development: challenges and insights
Maxim V Ivanov, Marat R Talipov, Qadir K Timerghazin
The Journal of Chemical Physics
|
October 10, 2015
Electrostatic point charge fitting as an inverse problem: Revealing the underlying ill-conditioning
Maxim V Ivanov, Marat R Talipov, Qadir K Timerghazin
Physical Chemistry Chemical Physics : PCCP
|
August 29, 2019
Towards a rational design of laser-coolable molecules: insights from equation-of-motion coupled-cluster calculations
Maxim V Ivanov, Felix H Bangerter, Anna I Krylov
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
May 18, 2017
Unraveling the Coulombic Forces in Electronically Decoupled Bichromophoric Systems during Two Successive Electron Transfers
Maxim V Ivanov, Shriya H Wadumethrige, Denan Wang, et al.
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