Angular dependence of Gaussian‐Lobe orbitals. I. Analysis of standard p‐ and d‐orbitals (original) (raw)

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Bernard Silvi

International Journal of Quantum Chemistry, 1978

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Bernard Silvi

International Journal of Quantum Chemistry, 1978

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Limited Expansion Gaussian Lobe Orbitals in Ab Initio Studies of Atoms and Molecules

Erik Grimmelmann

The Journal of Chemical Physics, 1971

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Acta Crystallographica Section A Foundations of Crystallography, 2006

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B. Hellsing

European Journal of Physics, 2010

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Ralph Christoffersen

International Journal of Quantum Chemistry, 2009

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John Sabin

J Am Chem Soc, 1977

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Ali Pakiari

Journal of Molecular Structure: THEOCHEM, 2002

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Alireza Pakyari, Ali Pakiari

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Joseph Fripiat

International Journal of Quantum Chemistry, 1988

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Trygve Helgaker

2007

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Tzvetelin Iordanov

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Gion Calzaferri

The Journal of Physical Chemistry, 1995

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Simulated ab initio molecular orbital technique. Part 5.—Polar groups, ionic molecules and orthogonalised basis sets

Brian Salter-Duke

Journal of the Chemical Society, 1975

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Local-density-functional total energy gradients in the linear combination of Gaussian-type orbitals method

Brett Dunlap

Phys Rev a, 1990

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A study of the orbital description of π-bonds in molecules by the FSGO method

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Herbert Dacosta, Alfredo Simas

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Molecular orbital theory of the properties of inorganic and organometallic compounds. 2. STO-NG basis sets for fourth-row main-group elements

William Pietro

Inorganic Chemistry, 1981

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Gerard Harbison

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Molecular orbital theory of the properties of inorganic and organometallic compounds. 1. STO-NG basis sets for third-row main-group elements

William Pietro

Inorganic Chemistry, 1980

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Helvetica Chimica Acta, 1993

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Telhat Ozdogan

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Caterina Vozzi

Chemical Physics Letters, 1979

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Victor Manuel Velez García

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Murat Ertürk

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11: Molecular Orbital Theory

Vernon Morris

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Andrei Tchougreeff

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