Publications by authors named "Samir Zein"

Claim this Profile
D
Density functional estimations of Heisenberg exchange constants in oligonuclear magnetic compounds: Assessment of density functional theory versus ab initio.
Samir Zein, Mahboubeh Poor Kalhor, Liviu F Chibotaru, Henry Chermette

J Chem Phys· December 2009

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
S
Structure of the oxygen-evolving complex of photosystem II: information on the S(2) state through quantum chemical calculation of its magnetic properties.
Dimitrios A Pantazis, Maylis Orio, Taras Petrenko, Samir Zein, Wolfgang Lubitz

Phys Chem Chem Phys· August 2009

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
A new quantum chemical approach to the magnetic properties of oligonuclear transition-metal complexes: application to a model for the tetranuclear manganese cluster of photosystem II.
Dimitrios A Pantazis, Maylis Orio, Taras Petrenko, Samir Zein, Eckhard Bill

Chemistry· June 2009

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
Ab initio and coupled-perturbed density functional theory estimation of zero-field splittings in MnII transition metal complexes.
Samir Zein, Frank Neese

J Phys Chem A· August 2008

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
F
Focusing the view on nature's water-splitting catalyst.
Samir Zein, Leonid V Kulik, Junko Yano, Jan Kern, Yulia Pushkar

Philos Trans R Soc Lond B Biol Sci· March 2008

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
A systematic density functional study of the zero-field splitting in Mn(II) coordination compounds.
Samir Zein, Carole Duboc, Wolfgang Lubitz, Frank Neese

Inorg Chem· January 2008

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
S
Spin crossover phenomenon accompanying order-disorder phase transition in the ligand of [FeII(DAPP)(abpt)](ClO4)2 compound (DAPP = bis(3-aminopropyl)(2-pyridylmethyl)amine, abpt = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole) and its successive self-grinding effect.
Yuji Miyazaki, Tadahiro Nakamoto, Satoaki Ikeuchi, Kazuya Saito, Akira Inaba, Samir Zein

J Phys Chem B· November 2007

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
I
Investigation of the two-step spin crossover complex Fe[5-NO2-sal-(1,4,7,10)] using density functional theory.
Thomas Guillon, Lionel Salmon, Gábor Molnár, Samir Zein, Serguei Borshch

J Phys Chem A· August 2007

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
O
Origin of the zero-field splitting in mononuclear octahedral dihalide MnII complexes: an investigation by multifrequency high-field electron paramagnetic resonance and density functional theory.
Carole Duboc, Thida Phoeung, Samir Zein, Jacques Pécaut, Marie-Noëlle Collomb

Inorg Chem· June 2007

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
The catalytic Mn2+ sites in the enolase-inhibitor complex: crystallography, single-crystal EPR, and DFT calculations.
Raanan Carmieli, Todd M Larsen, George H Reed, Samir Zein, Frank Neese

J Am Chem Soc· April 2007

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
Assessment of the exchange-correlation functionals for the physical description of spin transition phenomena by density functional theory methods: all the same?
Samir Zein, Serguei A Borshch, Paul Fleurat-Lessard, Mark E Casida, Henry Chermette

J Chem Phys· January 2007

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
E
Energetics of binuclear spin transition complexes.
Samir Zein, Serguei A Borshch

J Am Chem Soc· November 2005

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
Q
Quantum chemical study of three polymorphs of the mononuclear spin-transition complex [Fe(DPPA)(NCS)2].
Samir Zein, Galina S Matouzenko, Serguei A Borshch

J Phys Chem A· September 2005

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
C
Cooperative spin crossover and order-disorder phenomena in a mononuclear compound [Fe(DAPP)(abpt)](ClO(4))(2) [DAPP = [bis(3-aminopropyl)(2-pyridylmethyl)amine], abpt = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole].
Galina S Matouzenko, Azzedine Bousseksou, Serguei A Borshch, Monique Perrin, Samir Zein

Inorg Chem· January 2004

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis