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Journal of Chemical Theory and Computation
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January 26, 2022
Choosing Bad versus Worse: Predictions of Two-Photon-Absorption Strengths Based on Popular Density Functional Approximations
Marta Chołuj, Md Mehboob Alam, Maarten T P Beerepoot, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
All-Metal Aromaticity: Revisiting the Ring Current Model among Transition Metal Clusters
Zahra Badri, Shubhrodeep Pathak, Heike Fliegl, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 2, 2016
Open-ended formulation of self-consistent field response theory with the polarizable continuum model for solvation
Roberto Di Remigio, Maarten T P Beerepoot, Yann Cornaton, et al.
The Journal of Physical Chemistry. A
|
May 4, 2007
Solvent effects on NMR isotropic shielding constants. a comparison between explicit polarizable discrete and continuum approaches
Kestutis Aidas, Andreas Møgelhøj, Hanna Kjaer, et al.
The Journal of Physical Chemistry. A
|
January 16, 2016
Structure, NMR and Electronic Spectra of [m.n]Paracyclophanes with Varying Bridges Lengths (m, n = 2-4)
Taye B Demissie, Helena Dodziuk, Jacek Waluk, et al.
The Journal of Chemical Physics
|
December 24, 2013
Spin-rotation and NMR shielding constants in HCl
Michał Jaszuński, Michal Repisky, Taye B Demissie, et al.
The Journal of Physical Chemistry. A
|
February 17, 2012
Absolute configuration of a cyclic dipeptide reflected in vibrational optical activity: ab initio and experimental investigation
Xiaojun Li, Kathrin H Hopmann, Jana Hudecová, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 11, 2016
Open-ended response theory with polarizable embedding: multiphoton absorption in biomolecular systems
Arnfinn Hykkerud Steindal, Maarten T P Beerepoot, Magnus Ringholm, et al.
The Journal of Organic Chemistry
|
December 14, 2011
Determining the absolute configuration of two marine compounds using vibrational chiroptical spectroscopy
Kathrin H Hopmann, Jaroslav Šebestík, Jana Novotná, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 22, 2013
A polarizable embedding DFT study of one-photon absorption in fluorescent proteins
Maarten T P Beerepoot, Arnfinn Hykkerud Steindal, Jacob Kongsted, et al.
Page
of 17
Search research articles
Search
Showing results (141-150 of 161) with videos related to
Sort By:
Page
of 17
Journal of Chemical Theory and Computation
|
January 26, 2022
Choosing Bad versus Worse: Predictions of Two-Photon-Absorption Strengths Based on Popular Density Functional Approximations
Marta Chołuj, Md Mehboob Alam, Maarten T P Beerepoot, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
All-Metal Aromaticity: Revisiting the Ring Current Model among Transition Metal Clusters
Zahra Badri, Shubhrodeep Pathak, Heike Fliegl, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 2, 2016
Open-ended formulation of self-consistent field response theory with the polarizable continuum model for solvation
Roberto Di Remigio, Maarten T P Beerepoot, Yann Cornaton, et al.
The Journal of Physical Chemistry. A
|
May 4, 2007
Solvent effects on NMR isotropic shielding constants. a comparison between explicit polarizable discrete and continuum approaches
Kestutis Aidas, Andreas Møgelhøj, Hanna Kjaer, et al.
The Journal of Physical Chemistry. A
|
January 16, 2016
Structure, NMR and Electronic Spectra of [m.n]Paracyclophanes with Varying Bridges Lengths (m, n = 2-4)
Taye B Demissie, Helena Dodziuk, Jacek Waluk, et al.
The Journal of Chemical Physics
|
December 24, 2013
Spin-rotation and NMR shielding constants in HCl
Michał Jaszuński, Michal Repisky, Taye B Demissie, et al.
The Journal of Physical Chemistry. A
|
February 17, 2012
Absolute configuration of a cyclic dipeptide reflected in vibrational optical activity: ab initio and experimental investigation
Xiaojun Li, Kathrin H Hopmann, Jana Hudecová, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 11, 2016
Open-ended response theory with polarizable embedding: multiphoton absorption in biomolecular systems
Arnfinn Hykkerud Steindal, Maarten T P Beerepoot, Magnus Ringholm, et al.
The Journal of Organic Chemistry
|
December 14, 2011
Determining the absolute configuration of two marine compounds using vibrational chiroptical spectroscopy
Kathrin H Hopmann, Jaroslav Šebestík, Jana Novotná, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 22, 2013
A polarizable embedding DFT study of one-photon absorption in fluorescent proteins
Maarten T P Beerepoot, Arnfinn Hykkerud Steindal, Jacob Kongsted, et al.
Page
of 17