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The Journal of Chemical Physics
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March 17, 2019
A semiempirical effective Hamiltonian based approach for analyzing excited state wave functions and computing excited state absorption spectra using real-time dynamics
Soumen Ghosh, Jason C Asher, Laura Gagliardi, et al.
Carbohydrate Research
|
January 24, 2012
Conformational analysis of cellobiose by electronic structure theories
Alfred D French, Glenn P Johnson, Christopher J Cramer, et al.
Inorganic Chemistry
|
September 27, 2005
Characterization of a 1:1 Cu-O2 adduct supported by an anilido imine ligand
Anne M Reynolds, Benjamin F Gherman, Christopher J Cramer, et al.
Journal of the American Chemical Society
|
June 12, 2013
Divergence between organometallic and single-electron-transfer mechanisms in copper(II)-mediated aerobic C-H oxidation
Alison M Suess, Mehmed Z Ertem, Christopher J Cramer, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Charge Model 5: An Extension of Hirshfeld Population Analysis for the Accurate Description of Molecular Interactions in Gaseous and Condensed Phases
Aleksandr V Marenich, Steven V Jerome, Christopher J Cramer, et al.
Chemical Reviews
|
July 26, 2018
Combining Wave Function Methods with Density Functional Theory for Excited States
Soumen Ghosh, Pragya Verma, Christopher J Cramer, et al.
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
March 22, 2012
N-O bond cleavage mechanism(s) in nitrous oxide reductase
Mehmed Z Ertem, Christopher J Cramer, Fahmi Himo, et al.
Journal of Chemical Theory and Computation
|
December 4, 2015
A Semiempirical Quantum Model for Hydrogen-Bonded Nucleic Acid Base Pairs
Timothy J Giese, Edward C Sherer, Christopher J Cramer, et al.
Chemical Communications (Cambridge, England)
|
August 5, 2016
Why metal-oxos react with dihydroanthracene and cyclohexadiene at comparable rates, despite having different C-H bond strengths. A computational study
Johannes E M N Klein, Büsra Dereli, Lawrence Que, et al.
The Journal of Organic Chemistry
|
December 13, 1996
A Universal Organic Solvation Model
David J. Giesen, Michael Z. Gu, Christopher J. Cramer, et al.
Page
of 28
Search research articles
Search
Showing results (101-110 of 271) with videos related to
Sort By:
Page
of 28
The Journal of Chemical Physics
|
March 17, 2019
A semiempirical effective Hamiltonian based approach for analyzing excited state wave functions and computing excited state absorption spectra using real-time dynamics
Soumen Ghosh, Jason C Asher, Laura Gagliardi, et al.
Carbohydrate Research
|
January 24, 2012
Conformational analysis of cellobiose by electronic structure theories
Alfred D French, Glenn P Johnson, Christopher J Cramer, et al.
Inorganic Chemistry
|
September 27, 2005
Characterization of a 1:1 Cu-O2 adduct supported by an anilido imine ligand
Anne M Reynolds, Benjamin F Gherman, Christopher J Cramer, et al.
Journal of the American Chemical Society
|
June 12, 2013
Divergence between organometallic and single-electron-transfer mechanisms in copper(II)-mediated aerobic C-H oxidation
Alison M Suess, Mehmed Z Ertem, Christopher J Cramer, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Charge Model 5: An Extension of Hirshfeld Population Analysis for the Accurate Description of Molecular Interactions in Gaseous and Condensed Phases
Aleksandr V Marenich, Steven V Jerome, Christopher J Cramer, et al.
Chemical Reviews
|
July 26, 2018
Combining Wave Function Methods with Density Functional Theory for Excited States
Soumen Ghosh, Pragya Verma, Christopher J Cramer, et al.
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
March 22, 2012
N-O bond cleavage mechanism(s) in nitrous oxide reductase
Mehmed Z Ertem, Christopher J Cramer, Fahmi Himo, et al.
Journal of Chemical Theory and Computation
|
December 4, 2015
A Semiempirical Quantum Model for Hydrogen-Bonded Nucleic Acid Base Pairs
Timothy J Giese, Edward C Sherer, Christopher J Cramer, et al.
Chemical Communications (Cambridge, England)
|
August 5, 2016
Why metal-oxos react with dihydroanthracene and cyclohexadiene at comparable rates, despite having different C-H bond strengths. A computational study
Johannes E M N Klein, Büsra Dereli, Lawrence Que, et al.
The Journal of Organic Chemistry
|
December 13, 1996
A Universal Organic Solvation Model
David J. Giesen, Michael Z. Gu, Christopher J. Cramer, et al.
Page
of 28