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The Journal of Organic Chemistry
|
October 22, 2005
Ab initio molecular orbital and density functional studies on the solvolysis of sarin and O,S-dimethyl methylphosphonothiolate, a VX-like compound
Jolita Seckute, Jessica L Menke, Ryan J Emnett, et al.
Inorganic Chemistry
|
May 22, 2013
Mechanisms of photoisomerization and water-oxidation catalysis of mononuclear ruthenium(II) monoaquo complexes
Masanari Hirahara, Mehmed Z Ertem, Manabu Komi, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
What Active Space Adequately Describes Oxygen Activation by a Late Transition Metal? CASPT2 and RASPT2 Applied to Intermediates from the Reaction of O2 with a Cu(I)-α-Ketocarboxylate
Stefan M Huber, Abdul Rehaman Moughal Shahi, Francesco Aquilante, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
December 6, 2017
On the Lewis Acidity of the Oxoiron(IV) Unit in a Tetramethylcyclam Complex
Johannes E M N Klein, Apparao Draksharapu, Alireza Shokri, et al.
Inorganic Chemistry
|
July 26, 2017
Computational Screening of Bimetal-Functionalized Zr<sub>6</sub>O<sub>8</sub> MOF Nodes for Methane C-H Bond Activation
Dale R Pahls, Manuel A Ortuño, Peter H Winegar, et al.
ACS Macro Letters
|
May 31, 2022
Readily Degradable Aromatic Polyesters from Salicylic Acid
Hee Joong Kim, Yernaidu Reddi, Christopher J Cramer, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 3, 2014
Quantum chemical and matrix-IR characterization of CH3CN-BCl3: a complex with two distinct minima along the B-N bond potential
John P Wrass, Daniel Sadowsky, Kaitlin M Bloomgren, et al.
Chemical Science
|
January 26, 2024
Mechanistic insights into radical formation and functionalization in copper/<i>N</i>-fluorobenzenesulfonimide radical-relay reactions
Mukunda Mandal, Joshua A Buss, Si-Jie Chen, et al.
The Journal of Chemical Physics
|
June 3, 2008
The restricted active space followed by second-order perturbation theory method: theory and application to the study of CuO2 and Cu2O2 systems
Per Ake Malmqvist, Kristine Pierloot, Abdul Rehaman Moughal Shahi, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 5, 2017
Excited-state absorption in tetrapyridyl porphyrins: comparing real-time and quadratic-response time-dependent density functional theory
David N Bowman, Jason C Asher, Sean A Fischer, et al.
Page
of 28
Search research articles
Search
Showing results (131-140 of 271) with videos related to
Sort By:
Page
of 28
The Journal of Organic Chemistry
|
October 22, 2005
Ab initio molecular orbital and density functional studies on the solvolysis of sarin and O,S-dimethyl methylphosphonothiolate, a VX-like compound
Jolita Seckute, Jessica L Menke, Ryan J Emnett, et al.
Inorganic Chemistry
|
May 22, 2013
Mechanisms of photoisomerization and water-oxidation catalysis of mononuclear ruthenium(II) monoaquo complexes
Masanari Hirahara, Mehmed Z Ertem, Manabu Komi, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
What Active Space Adequately Describes Oxygen Activation by a Late Transition Metal? CASPT2 and RASPT2 Applied to Intermediates from the Reaction of O2 with a Cu(I)-α-Ketocarboxylate
Stefan M Huber, Abdul Rehaman Moughal Shahi, Francesco Aquilante, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
December 6, 2017
On the Lewis Acidity of the Oxoiron(IV) Unit in a Tetramethylcyclam Complex
Johannes E M N Klein, Apparao Draksharapu, Alireza Shokri, et al.
Inorganic Chemistry
|
July 26, 2017
Computational Screening of Bimetal-Functionalized Zr<sub>6</sub>O<sub>8</sub> MOF Nodes for Methane C-H Bond Activation
Dale R Pahls, Manuel A Ortuño, Peter H Winegar, et al.
ACS Macro Letters
|
May 31, 2022
Readily Degradable Aromatic Polyesters from Salicylic Acid
Hee Joong Kim, Yernaidu Reddi, Christopher J Cramer, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 3, 2014
Quantum chemical and matrix-IR characterization of CH3CN-BCl3: a complex with two distinct minima along the B-N bond potential
John P Wrass, Daniel Sadowsky, Kaitlin M Bloomgren, et al.
Chemical Science
|
January 26, 2024
Mechanistic insights into radical formation and functionalization in copper/<i>N</i>-fluorobenzenesulfonimide radical-relay reactions
Mukunda Mandal, Joshua A Buss, Si-Jie Chen, et al.
The Journal of Chemical Physics
|
June 3, 2008
The restricted active space followed by second-order perturbation theory method: theory and application to the study of CuO2 and Cu2O2 systems
Per Ake Malmqvist, Kristine Pierloot, Abdul Rehaman Moughal Shahi, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 5, 2017
Excited-state absorption in tetrapyridyl porphyrins: comparing real-time and quadratic-response time-dependent density functional theory
David N Bowman, Jason C Asher, Sean A Fischer, et al.
Page
of 28