UB Paderborn / Katalog / Suche / in CDI

Sortiert nach

Einfacher Volltextzugriff von (fast) überall

Installieren Sie die LibKey Nomad-Browsererweiterung und erhalten Sie von vielen Webseiten einfachen Zugriff auf lizenzierte Volltexte oder Open Access Publikationen. Mehr erfahren...

Hydrogen atom abstraction from aldehydes - OH + H2CO and O + H2CO

The Journal of chemical physics, 1984-07, Vol.81 (2), p.847-850

1984

Volltextzugriff (PDF)

Quantum monte carlo study of heats of formation and bond dissociation energies of small hydrocarbons

International journal of chemical kinetics, 2005-10, Vol.37 (10), p.583-592

2005

Volltextzugriff (PDF)

Hydrogen atom migration in the oxidation of aldehydes - O(3P) + H2CO

The Journal of chemical physics, 1984-05, Vol.80 (9), p.4193-4195

1984

Volltextzugriff (PDF)

Quantum Monte Carlo study of small hydrocarbon atomization energies

Molecular physics, 2006-02, Vol.104 (3), p.467-475

2006

Volltextzugriff (PDF)

Quantum Monte Carlo binding energies for silicon hydrides

The Journal of chemical physics, 1997-04, Vol.106 (15), p.6412-6417

1997

Volltextzugriff (PDF)

Role of polarization functions on the bridge hydrogen atom in HCN ⃛ HCN

International journal of quantum chemistry, 1988-07, Vol.34 (1), p.85-86

1988

Volltextzugriff (PDF)

Valence quantum Monte Carlo with ab initio effective core potentials

The Journal of chemical physics, 1987-07, Vol.87 (2), p.1130-1136

1987

Volltextzugriff (PDF)

Theoretical study of MgO(001) surfaces: Pure, doped with Fe, Ca, and Al, and with and without adsorbed water

International journal of quantum chemistry, 2001, Vol.84 (6), p.705-713

2001

Volltextzugriff (PDF)

Theoretical study of water coverage on MgO surfaces

International journal of quantum chemistry, 1999, Vol.71 (2), p.153-165

1999

Volltextzugriff (PDF)

Multidimensional wave-packet analysis: Splitting method for time-resolved property determination

International journal of quantum chemistry, 1991-11, Vol.40 (5), p.577-588

1991

Volltextzugriff (PDF)

Electronic structure, hyperfine interactions, and magnetic properties for iron octahedral sulfides

Physical review. B, Condensed matter, 1988-11, Vol.38 (15), p.10837-10851

1988

Volltextzugriff (PDF)

Optimized trial functions for quantum Monte Carlo

The Journal of chemical physics, 1990, Vol.92 (1), p.597-602

1990

Volltextzugriff (PDF)

Theoretical study of the H+O3↔OH+O2↔O+HO2 system

The Journal of chemical physics, 1986-03, Vol.84 (5), p.2691-2697

1986

Volltextzugriff (PDF)

Molecular cluster model for magnetic iron

Physical review. B, Condensed matter, 1989-08, Vol.40 (5), p.2879-2884

1989

Volltextzugriff (PDF)

AB initio study of the vibrational spectra of NO3

Chemical physics letters, 1990-04, Vol.168 (2), p.131-134

1990

Volltextzugriff (PDF)

Electron affinity of fluorine: a quantum Monte Carlo study

The Journal of chemical physics, 1986-05, Vol.84 (9), p.4992-4996

1986

Volltextzugriff (PDF)

Damped-core quantum Monte Carlo method: effective treatment for large-Z systems

Physical review letters, 1988-11, Vol.61 (20), p.2312-2315

1988

Volltextzugriff (PDF)

Quantum Monte Carlo approach to electronically excited molecules

The Journal of chemical physics, 1986-10, Vol.85 (8), p.4749-4750

1986

Volltextzugriff (PDF)

H+H2 reaction barrier: a fixed-node quantum Monte Carlo study

The Journal of chemical physics, 1985-03, Vol.82 (6), p.2700-2707

1985

Volltextzugriff (PDF)

Quantum Monte Carlo calculation of the singlet-triplet splitting in methylene

The Journal of chemical physics, 1985-02, Vol.82 (4), p.1983-1990

1985

Volltextzugriff (PDF)

Quantum time-dependent study of the scattering of He by H2(B 1Σu+)

Chemical physics letters, 1989-11, Vol.163 (4-5), p.297-302

1989

Volltextzugriff (PDF)

Quantum chemistry by quantum monte carlo: Beyond ground-state energy calculations

International journal of quantum chemistry, 1986-04, Vol.29 (4), p.589-596

1986

Volltextzugriff (PDF)

Monte Carlo determination of the oscillator strength and excited state lifetime for the Li 22S → 22P transition

International journal of quantum chemistry, 1992-05, Vol.42 (4), p.837-847

1992

Volltextzugriff (PDF)

Is there a zeroth order time-step error in diffusion quantum Monte Carlo?

The Journal of chemical physics, 1987-08, Vol.87 (3), p.1905-1906

1987

Volltextzugriff (PDF)

Low-lying electronic states of nitrosyl cyanide (NCNO): An ab initio MCHF study

The Journal of chemical physics, 1985-10, Vol.83 (8), p.3990-3994

1985

Volltextzugriff (PDF)

1 – 25 von 441

Menü

Weitere Dienste

Einstellungen

Hydrogen atom abstraction from aldehydes - OH + H2CO and O + H2CO

Quantum monte carlo study of heats of formation and bond dissociation energies of small hydrocarbons

Hydrogen atom migration in the oxidation of aldehydes - O(3P) + H2CO

Quantum Monte Carlo study of small hydrocarbon atomization energies

Quantum Monte Carlo binding energies for silicon hydrides

Role of polarization functions on the bridge hydrogen atom in HCN ⃛ HCN

Valence quantum Monte Carlo with ab initio effective core potentials

Theoretical study of MgO(001) surfaces: Pure, doped with Fe, Ca, and Al, and with and without adsorbed water

Theoretical study of water coverage on MgO surfaces

Multidimensional wave-packet analysis: Splitting method for time-resolved property determination

Electronic structure, hyperfine interactions, and magnetic properties for iron octahedral sulfides

Optimized trial functions for quantum Monte Carlo

Theoretical study of the H+O3↔OH+O2↔O+HO2 system

Molecular cluster model for magnetic iron

AB initio study of the vibrational spectra of NO3

Electron affinity of fluorine: a quantum Monte Carlo study

Damped-core quantum Monte Carlo method: effective treatment for large-Z systems

Quantum Monte Carlo approach to electronically excited molecules

H+H2 reaction barrier: a fixed-node quantum Monte Carlo study

Quantum Monte Carlo calculation of the singlet-triplet splitting in methylene

Quantum time-dependent study of the scattering of He by H2(B 1Σu+)

Quantum chemistry by quantum monte carlo: Beyond ground-state energy calculations

Monte Carlo determination of the oscillator strength and excited state lifetime for the Li 22S → 22P transition

Is there a zeroth order time-step error in diffusion quantum Monte Carlo?

Low-lying electronic states of nitrosyl cyanide (NCNO): An ab initio MCHF study

Suchergebnisse filtern