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The Journal of Chemical Physics
|
April 4, 2020
Efficient and automated computation of accurate molecular geometries using focal-point approximations to large-basis coupled-cluster theory
Constance E Warden, Daniel G A Smith, Lori A Burns, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Accurate Interaction Energies for Problematic Dispersion-Bound Complexes: Homogeneous Dimers of NCCN, P2, and PCCP
Edward G Hohenstein, Heather M Jaeger, Emily J Carrell, et al.
Plos One
|
November 6, 2014
A tyrosine-rich cell surface protein in the diatom Amphora coffeaeformis identified through transcriptome analysis and genetic transformation
Matthias T Buhmann, Nicole Poulsen, Jennifer Klemm, et al.
The Journal of Chemical Physics
|
March 11, 2014
Levels of symmetry adapted perturbation theory (SAPT). I. Efficiency and performance for interaction energies
Trent M Parker, Lori A Burns, Robert M Parrish, et al.
The Journal of Chemical Physics
|
November 11, 2011
Large-scale symmetry-adapted perturbation theory computations via density fitting and Laplace transformation techniques: investigating the fundamental forces of DNA-intercalator interactions
Edward G Hohenstein, Robert M Parrish, C David Sherrill, et al.
Physical Review Letters
|
October 15, 2013
Exact tensor hypercontraction: a universal technique for the resolution of matrix elements of local finite-range N-body potentials in many-body quantum problems
Robert M Parrish, Edward G Hohenstein, Nicolas F Schunck, et al.
The Journal of Chemical Physics
|
February 8, 2023
Benchmarking two-body contributions to crystal lattice energies and a range-dependent assessment of approximate methods
Caroline T Sargent, Derek P Metcalf, Zachary L Glick, et al.
The Journal of Chemical Physics
|
June 15, 2023
Benchmark coupled-cluster lattice energy of crystalline benzene and assessment of multi-level approximations in the many-body expansion
Carlos H Borca, Zachary L Glick, Derek P Metcalf, et al.
The Journal of Chemical Physics
|
November 6, 2007
Benchmark full configuration interaction and equation-of-motion coupled-cluster model with single and double substitutions for ionized systems results for prototypical charge transfer systems: noncovalent ionized dimers
Piotr A Pieniazek, Stephen A Arnstein, Stephen E Bradforth, et al.
Journal of the American Chemical Society
|
December 26, 2012
Quantum-mechanical analysis of the energetic contributions to π stacking in nucleic acids versus rise, twist, and slide
Trent M Parker, Edward G Hohenstein, Robert M Parrish, et al.
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of 16
Search research articles
Search
Showing results (111-120 of 160) with videos related to
Sort By:
Page
of 16
The Journal of Chemical Physics
|
April 4, 2020
Efficient and automated computation of accurate molecular geometries using focal-point approximations to large-basis coupled-cluster theory
Constance E Warden, Daniel G A Smith, Lori A Burns, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Accurate Interaction Energies for Problematic Dispersion-Bound Complexes: Homogeneous Dimers of NCCN, P2, and PCCP
Edward G Hohenstein, Heather M Jaeger, Emily J Carrell, et al.
Plos One
|
November 6, 2014
A tyrosine-rich cell surface protein in the diatom Amphora coffeaeformis identified through transcriptome analysis and genetic transformation
Matthias T Buhmann, Nicole Poulsen, Jennifer Klemm, et al.
The Journal of Chemical Physics
|
March 11, 2014
Levels of symmetry adapted perturbation theory (SAPT). I. Efficiency and performance for interaction energies
Trent M Parker, Lori A Burns, Robert M Parrish, et al.
The Journal of Chemical Physics
|
November 11, 2011
Large-scale symmetry-adapted perturbation theory computations via density fitting and Laplace transformation techniques: investigating the fundamental forces of DNA-intercalator interactions
Edward G Hohenstein, Robert M Parrish, C David Sherrill, et al.
Physical Review Letters
|
October 15, 2013
Exact tensor hypercontraction: a universal technique for the resolution of matrix elements of local finite-range N-body potentials in many-body quantum problems
Robert M Parrish, Edward G Hohenstein, Nicolas F Schunck, et al.
The Journal of Chemical Physics
|
February 8, 2023
Benchmarking two-body contributions to crystal lattice energies and a range-dependent assessment of approximate methods
Caroline T Sargent, Derek P Metcalf, Zachary L Glick, et al.
The Journal of Chemical Physics
|
June 15, 2023
Benchmark coupled-cluster lattice energy of crystalline benzene and assessment of multi-level approximations in the many-body expansion
Carlos H Borca, Zachary L Glick, Derek P Metcalf, et al.
The Journal of Chemical Physics
|
November 6, 2007
Benchmark full configuration interaction and equation-of-motion coupled-cluster model with single and double substitutions for ionized systems results for prototypical charge transfer systems: noncovalent ionized dimers
Piotr A Pieniazek, Stephen A Arnstein, Stephen E Bradforth, et al.
Journal of the American Chemical Society
|
December 26, 2012
Quantum-mechanical analysis of the energetic contributions to π stacking in nucleic acids versus rise, twist, and slide
Trent M Parker, Edward G Hohenstein, Robert M Parrish, et al.
Page
of 16