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Journal of Chemical Information and Modeling
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February 21, 2023
Enzyme Substrate Prediction from Three-Dimensional Feature Representations Using Space-Filling Curves
Dmitrij Rappoport, Adrian Jinich
Nanoscale
|
April 29, 2024
Optical study of Te<sub>8</sub> ring clusters: comparison with density functional theory and a step towards materials design using nanoporous zeolite space
Vladimir Poborchii, Dmitrij Rappoport
Journal of Chemical Theory and Computation
|
September 5, 2024
Reaction Networks Resemble Low-Dimensional Regular Lattices
Miko M Stulajter, Dmitrij Rappoport
Journal of Chemical Theory and Computation
|
June 28, 2019
Predicting Feasible Organic Reaction Pathways Using Heuristically Aided Quantum Chemistry
Dmitrij Rappoport, Alán Aspuru-Guzik
Journal of Chemical Theory and Computation
|
December 13, 2017
Quadratic Response Properties from TDDFT: Trials and Tribulations
Shane M Parker, Dmitrij Rappoport, Filipp Furche
The Journal of Chemical Physics
|
May 15, 2023
Implementation of the self-consistent phonons method with ab initio potentials (AI-SCP)
Colin Schiltz, Dmitrij Rappoport, Vladimir A Mandelshtam
The Journal of Physical Chemistry Letters
|
August 22, 2015
Simplified Sum-Over-States Approach for Predicting Resonance Raman Spectra. Application to Nucleic Acid Bases
Dmitrij Rappoport, Sangwoo Shim, Alán Aspuru-Guzik
Scientific Reports
|
January 27, 2015
Uncertainty of prebiotic scenarios: the case of the non-enzymatic reverse tricarboxylic acid cycle
Dmitry Yu Zubarev, Dmitrij Rappoport, Alán Aspuru-Guzik
The Journal of Chemical Physics
|
June 8, 2026
Prospects for detecting UF6 hydrolysis intermediates by mass spectrometry, resonance Raman, and NQR spectroscopy
Jesse J Lutz, Dmitrij Rappoport, Louis E McNamara
Dalton Transactions (Cambridge, England : 2003)
|
November 28, 2023
A DFT perspective on organometallic lanthanide chemistry
Ahmadreza Rajabi, Robin Grotjahn, Dmitrij Rappoport, et al.
Page
of 5
Search research articles
Search
Showing results (11-20 of 44) with videos related to
Sort By:
Page
of 5
Journal of Chemical Information and Modeling
|
February 21, 2023
Enzyme Substrate Prediction from Three-Dimensional Feature Representations Using Space-Filling Curves
Dmitrij Rappoport, Adrian Jinich
Nanoscale
|
April 29, 2024
Optical study of Te<sub>8</sub> ring clusters: comparison with density functional theory and a step towards materials design using nanoporous zeolite space
Vladimir Poborchii, Dmitrij Rappoport
Journal of Chemical Theory and Computation
|
September 5, 2024
Reaction Networks Resemble Low-Dimensional Regular Lattices
Miko M Stulajter, Dmitrij Rappoport
Journal of Chemical Theory and Computation
|
June 28, 2019
Predicting Feasible Organic Reaction Pathways Using Heuristically Aided Quantum Chemistry
Dmitrij Rappoport, Alán Aspuru-Guzik
Journal of Chemical Theory and Computation
|
December 13, 2017
Quadratic Response Properties from TDDFT: Trials and Tribulations
Shane M Parker, Dmitrij Rappoport, Filipp Furche
The Journal of Chemical Physics
|
May 15, 2023
Implementation of the self-consistent phonons method with ab initio potentials (AI-SCP)
Colin Schiltz, Dmitrij Rappoport, Vladimir A Mandelshtam
The Journal of Physical Chemistry Letters
|
August 22, 2015
Simplified Sum-Over-States Approach for Predicting Resonance Raman Spectra. Application to Nucleic Acid Bases
Dmitrij Rappoport, Sangwoo Shim, Alán Aspuru-Guzik
Scientific Reports
|
January 27, 2015
Uncertainty of prebiotic scenarios: the case of the non-enzymatic reverse tricarboxylic acid cycle
Dmitry Yu Zubarev, Dmitrij Rappoport, Alán Aspuru-Guzik
The Journal of Chemical Physics
|
June 8, 2026
Prospects for detecting UF6 hydrolysis intermediates by mass spectrometry, resonance Raman, and NQR spectroscopy
Jesse J Lutz, Dmitrij Rappoport, Louis E McNamara
Dalton Transactions (Cambridge, England : 2003)
|
November 28, 2023
A DFT perspective on organometallic lanthanide chemistry
Ahmadreza Rajabi, Robin Grotjahn, Dmitrij Rappoport, et al.
Page
of 5