A general procedure for the theoretical study of the Λ-doubling

AB initio calculation of the zero-field splittings of the X3Σg− and B3Πg,i states of the S2 molecule

Ab Initio Study of the Electronic Spectrum of 7-Hydroxyquinoline

Ab initio calculations of the radiative lifetime of the a1Δ and b1Σ+ states in the SeO molecule

Ab initio study of the spin—orbit splitting of the 3Pg ground state of the selenium atom

Ab initioCI calculation of O2+predissociation phenomena induced by a spin-orbit coupling mechanism

About the Chemistry of Phosphorus Suboxides

scientific article published on 01 January 2001

About the Chemistry of Phosphorus Suboxides

Calculation of spin-forbidden radiative transitions using correlated wavefunctions: Lifetimes of b1Σ+, a1Δ states in O2, S2 and SO

Comparison of the structure and spectra of the HNO+ and NOH+ ions using ab initio SCF and CI methods

Configuration interaction study of the lowest π and σ states in the succinimidyl radical

artículo científico publicado en 1986

Electronic spectrum and photodissociation of ClONO in comparison to BrONO

artículo científico publicado en 2005

Electronically excited states of chlorine monofluoride: A multi-reference configuration interaction study

Frequency analysis of amide-linked rotaxane mimetics

artículo científico publicado en 2006

Investigation of electron correlation on the theoretical prediction of zero-field splittings of 2Π molecular states

MCSCF reaction-path energetics and thermal rate-constants for the reaction of3NH with H2

MRD-CI study of the photodissociative behavior of HOOOCl, a molecule relevant to atmospheric chemistry

artículo científico publicado en 2005

Photofragmentation of dichloromethanol Cl2CHOH along C-O and C-Cl cleavages: a theoretical study

artículo científico publicado en 2002

Potential surfaces and vibronic coupling for the conical intersection of the Ã2A1 and B̃2B2 states of NH2

artículo científico publicado en 1985

Production of singlet oxygen atoms by photodissociation of oxywater

artículo científico publicado en 2009

Relative Stability of the Planar and Butterfly-like Structures of Cyclic P2O2

article by Max Mühlhäuser et al published January 1996 in The journal of physical chemistry

Spin-forbidden transitions in the presence of an intersystem crossing: application to the b1Σ+ state in OH+

article published in 1987

Spin−Orbit Coupling Patterns Induced by Twist and Pyramidalization Modes in C2H4: A Quantitative Study and a Qualitative Analysis

article published in 1998

Study of the dependence of spin-orbit matrix elements on AO basis set composition for inner and valence shells: Results for the multiplet splitting of X 3Σ− and C 3Π of SO and X 2Π in SO+

article

The Influence of Charge Distribution on Bond Lengths in the P4O6 Framework in Compounds of the Type P4O6X

The electronic spectrum of linear pentadiynylidene in comparison with isomeric ethynylcyclopropenylidene

Theoretical study of radiative and predissociative processes in ArH and ArD

Theory and experiment in concert: templated synthesis of amide rotaxanes, catenanes, and knots.

artículo científico publicado en 2004