Search research articles
Contact Us
Filters
Showing results (31-40 of 47) with videos related to
Page
of 5
Sort By:
The Journal of Physical Chemistry. A
|
August 17, 2023
Persistence of a Delocalized Radical in Larger Clusters of Hydrated Copper(II) Hydroxide, CuOH<sup>+</sup>(H<sub>2</sub>O)<sub>3-7</sub>
Elizabeth G Christensen, Kevin T Lutz, Ryan J Spencer, et al.
Journal of the American Chemical Society
|
May 21, 2024
The Near-Sightedness of Many-Body Interactions in Anharmonic Vibrational Couplings
Ryan J Spencer, Asylbek A Zhanserkeev, Emily L Yang, et al.
The Journal of Physical Chemistry. A
|
November 6, 2009
Potential energy curves for cation-pi interactions: off-axis configurations are also attractive
Michael S Marshall, Ryan P Steele, Kanchana S Thanthiriwatte, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 22, 2009
The 1,4-phenylenediisocyanide dimer: gas-phase properties and insights into organic self-assembled monolayers
Ryan P Steele, Robert A Distasio, Martin Head-Gordon, et al.
The Journal of Chemical Physics
|
September 1, 2006
Dual-basis second-order Moller-Plesset perturbation theory: A reduced-cost reference for correlation calculations
Ryan P Steele, Robert A DiStasio, Yihan Shao, et al.
Journal of Computational Chemistry
|
January 16, 2007
An improved algorithm for analytical gradient evaluation in resolution-of-the-identity second-order Møller-Plesset perturbation theory: application to alanine tetrapeptide conformational analysis
Robert A Distasio, Ryan P Steele, Young Min Rhee, et al.
The Journal of Chemical Physics
|
August 22, 2023
Accelerating and stabilizing the convergence of vibrational self-consistent field calculations via the direct inversion of the iterative subspace (vDIIS) algorithm
Emily L Yang, Ryan J Spencer, Asylbek A Zhanserkeev, et al.
Journal of the American Chemical Society
|
May 4, 2017
Monitoring Water Clusters "Melt" Through Vibrational Spectroscopy
Sandra E Brown, Andreas W Götz, Xiaolu Cheng, et al.
The Journal of Physical Chemistry. A
|
October 17, 2014
Multiple environment single system quantum mechanical/molecular mechanical (MESS-QM/MM) calculations. 1. Estimation of polarization energies
Alexander J Sodt, Ye Mei, Gerhard König, et al.
The Journal of Physical Chemistry. A
|
June 29, 2016
Vibrational Signatures of Conformer-Specific Intramolecular Interactions in Protonated Tryptophan
Aleksandr Y Pereverzev, Xiaolu Cheng, Natalia S Nagornova, et al.
Page
of 5
Search research articles
Search
Showing results (31-40 of 47) with videos related to
Sort By:
Page
of 5
The Journal of Physical Chemistry. A
|
August 17, 2023
Persistence of a Delocalized Radical in Larger Clusters of Hydrated Copper(II) Hydroxide, CuOH<sup>+</sup>(H<sub>2</sub>O)<sub>3-7</sub>
Elizabeth G Christensen, Kevin T Lutz, Ryan J Spencer, et al.
Journal of the American Chemical Society
|
May 21, 2024
The Near-Sightedness of Many-Body Interactions in Anharmonic Vibrational Couplings
Ryan J Spencer, Asylbek A Zhanserkeev, Emily L Yang, et al.
The Journal of Physical Chemistry. A
|
November 6, 2009
Potential energy curves for cation-pi interactions: off-axis configurations are also attractive
Michael S Marshall, Ryan P Steele, Kanchana S Thanthiriwatte, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 22, 2009
The 1,4-phenylenediisocyanide dimer: gas-phase properties and insights into organic self-assembled monolayers
Ryan P Steele, Robert A Distasio, Martin Head-Gordon, et al.
The Journal of Chemical Physics
|
September 1, 2006
Dual-basis second-order Moller-Plesset perturbation theory: A reduced-cost reference for correlation calculations
Ryan P Steele, Robert A DiStasio, Yihan Shao, et al.
Journal of Computational Chemistry
|
January 16, 2007
An improved algorithm for analytical gradient evaluation in resolution-of-the-identity second-order Møller-Plesset perturbation theory: application to alanine tetrapeptide conformational analysis
Robert A Distasio, Ryan P Steele, Young Min Rhee, et al.
The Journal of Chemical Physics
|
August 22, 2023
Accelerating and stabilizing the convergence of vibrational self-consistent field calculations via the direct inversion of the iterative subspace (vDIIS) algorithm
Emily L Yang, Ryan J Spencer, Asylbek A Zhanserkeev, et al.
Journal of the American Chemical Society
|
May 4, 2017
Monitoring Water Clusters "Melt" Through Vibrational Spectroscopy
Sandra E Brown, Andreas W Götz, Xiaolu Cheng, et al.
The Journal of Physical Chemistry. A
|
October 17, 2014
Multiple environment single system quantum mechanical/molecular mechanical (MESS-QM/MM) calculations. 1. Estimation of polarization energies
Alexander J Sodt, Ye Mei, Gerhard König, et al.
The Journal of Physical Chemistry. A
|
June 29, 2016
Vibrational Signatures of Conformer-Specific Intramolecular Interactions in Protonated Tryptophan
Aleksandr Y Pereverzev, Xiaolu Cheng, Natalia S Nagornova, et al.
Page
of 5