UB Paderborn / Katalog / Suche / in CDI

Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences, 1995-02, Vol.350 (1693), p.203-214

1995

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Difficulties in the calculation of electron spin resonance parameters using density functional methods

Chemical physics letters, 1994-12, Vol.230 (4), p.398-404

1994

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A multireference configuration interaction study of the hyperfine structure of the molecules CCO, CNN, and NCN in their triplet ground states

The Journal of chemical physics, 1994-11, Vol.101 (9), p.7686-7691

1994

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On the Dissociation of N 2 O after Electron Attachment

The journal of physical chemistry. B, 2004-09, Vol.108 (38), p.14511-14517

2004

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Theoretical study of the arsenic-hydrogen complex in silicon

Philosophical magazine. B, Physics of condensed matter. Structural, electronic, optical, and magnetic properties., 1995-08, Vol.72 (2), p.193-199

1995

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Temporary anions - calculation of energy and lifetime by absorbing potentials: the resonance

Journal of physics. B, Atomic, molecular, and optical physics, 1998-09, Vol.31 (18), p.4107-4122

1998

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Mapping of parent transition-state wave functions into product rotations : an experimental and theoretical investigation of the photodissociation of FNO

The Journal of chemical physics, 1992-05, Vol.96 (9), p.6643-6653

1992

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Product selectivity of vibrationally mediated photofragmentation of methanol

The Journal of chemical physics, 1993-03, Vol.98 (6), p.4718-4727

1993

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Predissociation via conformational change: photodissociation of N,N-dimethylnitrosamine in the S(1) state

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-12, Vol.114 (50), p.13011-13015

2010

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Dissociation and Recombination in the Photochemical Decay of Carbonyl Cyanide CO(CN)2 in Cryogenic Matrixes

Predissociation via Conformational Change: Photodissociation of N,N-Dimethylnitrosamine in the S1 State

Comparison between Optimized Geometries and Vibrational Frequencies Calculated by the DFT Methods

On the Dissociation of N2O after Electron Attachment

Muon sites and hyperfine fields in La2CuO4

Experimental and Theoretical Investigation of the Geometry and Vibrational Frequencies of 1,2,3-Triazole, 1,2,4-Triazole, and Tetrazole Anions

Quantum Chemical Investigation of Structures, Rotational Barriers, and Vibrational Spectra of the Rotamers of Ethyl Nitrite (CH3CH2ONO)

Theoretical study of electron spin resonance parameters: H2CN and H2CO

First-principles calculation of electric field gradients at the Cu sites in YBa2Cu3O7

An ab initio and dynamics study of the photodissociation of nitric acid HNO3

A theoretical study on the internal rotation and hyperfine structures of the ethyl radical (CH 3-CH 2)

Synthesis of One Monolayer of Hexagonal Boron Nitride on Ni(111) from B-Trichloroborazine (ClBNH)3

Configuration interaction calculation of hyperfine properties for bond-centered muonium in diamond

Predissociation via Conformational Change: Photodissociation of N , N -Dimethylnitrosamine in the S 1 State

S1 Potential energy surface of HONO: absorption spectrum and photodissociation

Theoretical study of the dimethylamino radical (CH 3) 2N and its protonated cation (CH 3) 2NH

Computational Studies of Hydrogen-Related Complexes in Semiconductors [and Discussion]

Difficulties in the calculation of electron spin resonance parameters using density functional methods

A multireference configuration interaction study of the hyperfine structure of the molecules CCO, CNN, and NCN in their triplet ground states

On the Dissociation of N 2 O after Electron Attachment

Theoretical study of the arsenic-hydrogen complex in silicon

Temporary anions - calculation of energy and lifetime by absorbing potentials: the resonance

Mapping of parent transition-state wave functions into product rotations : an experimental and theoretical investigation of the photodissociation of FNO

Product selectivity of vibrationally mediated photofragmentation of methanol

Predissociation via conformational change: photodissociation of N,N-dimethylnitrosamine in the S(1) state

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