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The Journal of Chemical Physics
|
March 3, 2010
Electronic excitation energies in solution at equation of motion CCSD level within a state specific polarizable continuum model approach
Marco Caricato, Benedetta Mennucci, Giovanni Scalmani, et al.
The Journal of Physical Chemistry Letters
|
August 25, 2017
Practical Density Functionals beyond the Overdelocalization-Underbinding Zero-Sum Game
Benjamin G Janesko, Emil Proynov, Jing Kong, et al.
Chirality
|
April 23, 2002
Ab initio prediction of optical rotation: comparison of density functional theory and Hartree-Fock methods for three 2,7,8-trioxabicyclo[3.2.1]octanes
P J Stephens, F J Devlin, J R Cheeseman, et al.
The Journal of Chemical Physics
|
November 1, 1986
Is N-protonated hydrogen isocyanide, H2NC+, an observable interstellar species?
D J DeFrees, J S Binkley, M J Frisch, et al.
Chirality
|
March 5, 2005
Determination of absolute configurations of chiral molecules using ab initio time-dependent Density Functional Theory calculations of optical rotation: how reliable are absolute configurations obtained for molecules with small rotations?
P J Stephens, D M McCann, J R Cheeseman, et al.
JBMR Plus
|
October 25, 2021
From the niche to malignant hematopoiesis and back: reciprocal interactions between leukemia and the bone marrow microenvironment
Celia A Soto, Cristina Lo Celso, Louise E Purton, et al.
The Journal of Physical Chemistry. B
|
July 11, 2006
Is the protein surrounding the active site critical for hydrogen peroxide reduction by selenoprotein glutathione peroxidase? An ONIOM study
Rajeev Prabhakar, Thom Vreven, Michael J Frisch, et al.
Journal of Clinical Oncology : Official Journal of the American Society of Clinical Oncology
|
September 1, 1992
Sequential administration of interleukin-3 and granulocyte-macrophage colony-stimulating factor following standard-dose combination chemotherapy with etoposide, ifosfamide, and cisplatin
W Brugger, J Frisch, G Schulz, et al.
Journal of Chemical Theory and Computation
|
October 27, 2025
Generalized Internal Coordinates for Creative Exploration of Interatomic Geometries
Aleksandr V Marenich, Edward N Brothers, Hrant P Hratchian, et al.
Journal of Computational Chemistry
|
August 2, 2017
Charge transfer excitations in TDDFT: A ghost-hunter index
Marco Campetella, Federica Maschietto, Mike J Frisch, et al.
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of 22
Search research articles
Search
Showing results (81-90 of 214) with videos related to
Sort By:
Page
of 22
The Journal of Chemical Physics
|
March 3, 2010
Electronic excitation energies in solution at equation of motion CCSD level within a state specific polarizable continuum model approach
Marco Caricato, Benedetta Mennucci, Giovanni Scalmani, et al.
The Journal of Physical Chemistry Letters
|
August 25, 2017
Practical Density Functionals beyond the Overdelocalization-Underbinding Zero-Sum Game
Benjamin G Janesko, Emil Proynov, Jing Kong, et al.
Chirality
|
April 23, 2002
Ab initio prediction of optical rotation: comparison of density functional theory and Hartree-Fock methods for three 2,7,8-trioxabicyclo[3.2.1]octanes
P J Stephens, F J Devlin, J R Cheeseman, et al.
The Journal of Chemical Physics
|
November 1, 1986
Is N-protonated hydrogen isocyanide, H2NC+, an observable interstellar species?
D J DeFrees, J S Binkley, M J Frisch, et al.
Chirality
|
March 5, 2005
Determination of absolute configurations of chiral molecules using ab initio time-dependent Density Functional Theory calculations of optical rotation: how reliable are absolute configurations obtained for molecules with small rotations?
P J Stephens, D M McCann, J R Cheeseman, et al.
JBMR Plus
|
October 25, 2021
From the niche to malignant hematopoiesis and back: reciprocal interactions between leukemia and the bone marrow microenvironment
Celia A Soto, Cristina Lo Celso, Louise E Purton, et al.
The Journal of Physical Chemistry. B
|
July 11, 2006
Is the protein surrounding the active site critical for hydrogen peroxide reduction by selenoprotein glutathione peroxidase? An ONIOM study
Rajeev Prabhakar, Thom Vreven, Michael J Frisch, et al.
Journal of Clinical Oncology : Official Journal of the American Society of Clinical Oncology
|
September 1, 1992
Sequential administration of interleukin-3 and granulocyte-macrophage colony-stimulating factor following standard-dose combination chemotherapy with etoposide, ifosfamide, and cisplatin
W Brugger, J Frisch, G Schulz, et al.
Journal of Chemical Theory and Computation
|
October 27, 2025
Generalized Internal Coordinates for Creative Exploration of Interatomic Geometries
Aleksandr V Marenich, Edward N Brothers, Hrant P Hratchian, et al.
Journal of Computational Chemistry
|
August 2, 2017
Charge transfer excitations in TDDFT: A ghost-hunter index
Marco Campetella, Federica Maschietto, Mike J Frisch, et al.
Page
of 22