Search Result "Nonbonded spin coupling"


An Analytical Approach to Predict High-spin Stability of Conjugated Hydrocarbon Radical Polymers using Minimized Mixing Nonbonding Molecular Orbitals

Journal: Current Physical Chemistry
Volume: 3 Issue: 1 Year: 2013 Page: 99-112
Author(s): Xun Zhu,Yuriko Aoki

Utilization of Nonbonded Interactions Involving Organoselenium Compounds

Journal: Current Organic Chemistry
Volume: 10 Issue: 1 Year: 2006 Page: 1993-2005
Author(s): Martyn P. Coles

Modeling Transition Metal Complexes in the Framework of the Spin-Crossover Phenomenon: A DFT Perspective

Journal: Current Inorganic Chemistry (Discontinued)
Volume: 3 Issue: 3 Year: 2013 Page: 242-259
Author(s): Latevi Max Lawson Daku

Palladium Complexes of Constrained Polyphosphines - Discovery and Investigation of “Through-Space” NMR Spin-Spin Couplings in Organometallic Compounds

Journal: Current Organic Chemistry
Volume: 15 Issue: 1 Year: 2011 Page: 3197-3213
Author(s): Jean-Cyrille Hierso

Unraveling the Structure and Function of G Protein-Coupled Receptors Through NMR Spectroscopy

Journal: Current Pharmaceutical Design
Volume: 15 Issue: 3 Year: 2009 Page: 4003-4016
Author(s): Irina G. Tikhonova, Stefano Costanzi

Computational EPR and Optical Spectral Investigation of VO(II) Ion Doped in Aqualithiumaquabis (Malonato) Zincate Lattice

Ebook: Marvels of Artificial and Computational Intelligence in Life Sciences

Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815136807123010017

Quantum Chemical Methods for Calculation of Non-Covalent Interactions in Biological Molecules

Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 314-323
Author(s): Sarah Aldulaijan,James A. Platts

A Perspective on Quantum Mechanics Calculations in ADMET Predictions

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 11 Year: 2013 Page: 1257-1272
Author(s): J. Phillip Bowen,Osman F. Guner

Substituted Polyacenes as Prospective Modifiers of TiO2 Surface

Journal: Current Physical Chemistry
Volume: 1 Issue: 3 Year: 2011 Page: 242-260
Author(s): Marek Oszajca, Przemyslaw Kwolek, Justyna Mech, Konrad Szacilowski

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