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The Journal of Physical Chemistry. A
|
January 20, 2017
Coupled Cluster Studies of Ionization Potentials and Electron Affinities of Single-Walled Carbon Nanotubes
Bo Peng, Niranjan Govind, Edoardo Aprà, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Reconsidering Dispersion Potentials: Reduced Cutoffs in Mesh-Based Ewald Solvers Can Be Faster Than Truncation
Rolf E Isele-Holder, Wayne Mitchell, Jeff R Hammond, et al.
The Journal of Chemical Physics
|
August 22, 2008
Reappraisal of cis effect in 1,2-dihaloethenes: an improved virtual orbital multireference approach
Rajat K Chaudhuri, Jeff R Hammond, Karl F Freed, et al.
Journal of Chemical Theory and Computation
|
August 30, 2008
MPW1K Performs Much Better than B3LYP in DFT Calculations on Reactions that Proceed by Proton-Coupled Electron Transfer (PCET)
Mark Lingwood, Jeff R Hammond, David A Hrovat, et al.
The Journal of Physical Chemistry. B
|
June 25, 2010
Computational studies of the thermochemistry for conversion of glucose to levulinic acid
Rajeev S Assary, Paul C Redfern, Jeff R Hammond, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Flow-Dependent Unfolding and Refolding of an RNA by Nonequilibrium Umbrella Sampling
Alex Dickson, Mark Maienschein-Cline, Allison Tovo-Dwyer, et al.
The Journal of Chemical Physics
|
August 22, 2024
LibERI-A portable and performant multi-GPU accelerated library for electron repulsion integrals via OpenMP offloading and standard language parallelism
Melisa Alkan, Buu Q Pham, Daniel Del Angel Cruz, et al.
Proteins
|
July 28, 2015
Effect of intrinsic and extrinsic factors on the simulated D-band length of type I collagen
Sameer Varma, Mohsen Botlani, Jeff R Hammond, et al.
Journal of Chemical Theory and Computation
|
July 17, 2023
NWChem: Recent and Ongoing Developments
Daniel Mejia-Rodriguez, Edoardo Aprà, Jochen Autschbach, et al.
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of 2
Search research articles
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Showing results (11-20 of 19) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 19 results.
The Journal of Physical Chemistry. A
|
January 20, 2017
Coupled Cluster Studies of Ionization Potentials and Electron Affinities of Single-Walled Carbon Nanotubes
Bo Peng, Niranjan Govind, Edoardo Aprà, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Reconsidering Dispersion Potentials: Reduced Cutoffs in Mesh-Based Ewald Solvers Can Be Faster Than Truncation
Rolf E Isele-Holder, Wayne Mitchell, Jeff R Hammond, et al.
The Journal of Chemical Physics
|
August 22, 2008
Reappraisal of cis effect in 1,2-dihaloethenes: an improved virtual orbital multireference approach
Rajat K Chaudhuri, Jeff R Hammond, Karl F Freed, et al.
Journal of Chemical Theory and Computation
|
August 30, 2008
MPW1K Performs Much Better than B3LYP in DFT Calculations on Reactions that Proceed by Proton-Coupled Electron Transfer (PCET)
Mark Lingwood, Jeff R Hammond, David A Hrovat, et al.
The Journal of Physical Chemistry. B
|
June 25, 2010
Computational studies of the thermochemistry for conversion of glucose to levulinic acid
Rajeev S Assary, Paul C Redfern, Jeff R Hammond, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Flow-Dependent Unfolding and Refolding of an RNA by Nonequilibrium Umbrella Sampling
Alex Dickson, Mark Maienschein-Cline, Allison Tovo-Dwyer, et al.
The Journal of Chemical Physics
|
August 22, 2024
LibERI-A portable and performant multi-GPU accelerated library for electron repulsion integrals via OpenMP offloading and standard language parallelism
Melisa Alkan, Buu Q Pham, Daniel Del Angel Cruz, et al.
Proteins
|
July 28, 2015
Effect of intrinsic and extrinsic factors on the simulated D-band length of type I collagen
Sameer Varma, Mohsen Botlani, Jeff R Hammond, et al.
Journal of Chemical Theory and Computation
|
July 17, 2023
NWChem: Recent and Ongoing Developments
Daniel Mejia-Rodriguez, Edoardo Aprà, Jochen Autschbach, et al.
Page
of 2