Results 131 to 140 of about 1,042 (145)

The Aromaticity of Osmapentalenes Derivatives - An Analysis Based on Electron-Delocalization Indices. [PDF]

Chemphyschem
Grande-Aztazi R, Matito E, Ugalde JM, Mercero JM.   +3 more
europepmc   +1 more source

Numerical Calculations of Electric Response Properties Using the Bubbles and Cube Framework. [PDF]

J Phys Chem A
Solala E, Xu WH, Parkkinen P, Sundholm D.   +3 more
europepmc   +1 more source

Resonant Convergence: An Integrative Model for Electromagnetic Interactions in Biological Systems. [PDF]

Int J Mol Sci
Greco A.
europepmc   +1 more source

Preparation of new modified CuFe₂O₄ nanoparticles by benzalkonium chloride as enhancer of natural gas hydrate formation. [PDF]

Sci Rep
Alsabagh AM, Shoaib AM, Awad M, Khalil SA, Gad MS.   +4 more
europepmc   +1 more source

DNA base pairs: the effect of the aromatic ring on the strength of the Watson-Crick hydrogen bonding.

Org Biomol Chem
Nieuwland C, van Well MJ, Guillaumes L, de Vey Mestdagh A, Dekker L, Nieuweboer C, Simon S, Fonseca Guerra C.   +7 more
europepmc   +1 more source

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Elimination of translational and rotational motions in nuclear orbital plus molecular orbital theory: Application of Møller-Plesset perturbation theory

Journal of Chemical Physics, 2006
Minoru Hoshino, Hiromi Nakai, Hiromi Nakai A   +2 more
exaly  

Multiconfiguration self-consistent-field theory based upon the fragment molecular orbital method

Journal of Chemical Physics, 2005
Dmitri G Fedorov, Kazuo Kitaura, Fedorov Dmitri G   +2 more
exaly  

Structural and electronic properties of Sin, Sin−, and PSin−1 clusters (2⩽n⩽13): Theoretical investigation based on ab initio molecular orbital theory

Journal of Chemical Physics, 2006
Sandeep Nigam, Chiranjib Majumder, S K Kulshreshtha   +2 more
exaly  

Coupled-cluster theory based upon the fragment molecular-orbital method

Journal of Chemical Physics, 2005
Dmitri G Fedorov, Kazuo Kitaura, Fedorov Dmitri G   +2 more
exaly  

Rigorous non-Born-Oppenheimer theory: Combination of explicitly correlated Gaussian method and nuclear orbital plus molecular orbital theory

Journal of Chemical Physics, 2011
Minoru Hoshino, Hiromi Nakai, Hiromi Nakai A   +2 more
exaly