Gunnar Karlström : rechercher sur Z-Library

Engkvist, Ola, Åstrand, Per-Olof, Karlström, Gunnar

Année:

1997

Langue:

english

Fichier:

PDF, 382 KB

english, 1997

Accurate Intermolecular Potentials Obtained from Molecular Wave Functions: Bridging the Gap between Quantum Chemistry and Molecular Simulations

Journal:

Chemical Reviews

Année:

2000

Langue:

english

Fichier:

PDF, 227 KB

english, 2000

On the use of a Hessian model function in molecular geometry optimizations

Roland Lindh, Anders Bernhardsson, Gunnar Karlström, Per-Åke Malmqvist

Journal:

Computational Materials Science

Année:

1995

Langue:

english

Fichier:

PDF, 556 KB

english, 1995

On the demonstration of bicontinuous structures in microemulsions

Björn Lindman, Kōzō Shinoda, Ulf Olsson, David Anderson, Gunnar Karlström, Håkan Wennerström

Journal:

Colloids and Surfaces

Année:

1989

Langue:

english

Fichier:

PDF, 1.59 MB

english, 1989

MOLCAS: a program package for computational chemistry

Gunnar Karlström, Roland Lindh, Per-Åke Malmqvist, Björn O Roos, Ulf Ryde, Valera Veryazov, Per-Olof Widmark, Maurizio Cossi, Bernd Schimmelpfennig, Pavel Neogrady, Luis Seijo

Journal:

Année:

2003

Langue:

english

Fichier:

PDF, 337 KB

english, 2003

Modeling of the Exchange Repulsion Energy

Brdarski, Steve, Karlström, Gunnar

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 124 KB

english, 1998

Solvent effects on electronic spectra studied by multiconfigurational perturbation theory

Luis Serrano-Andrés, Markus P. Fülscher, Gunnar Karlström

Journal:

Année:

1997

Langue:

english

Fichier:

PDF, 217 KB

english, 1997

A CASSCF study on the lowest π→π* excitation of urocanic acid

Ari Lahti, Matti Hotokka, Kari Neuvonen, Gunnar Karlström

Journal:

Anders Öhrn, Gunnar Karlström

Année:

1999

Langue:

english

Fichier:

PDF, 300 KB

english, 1999

Theoretical Predictions of the Coordination of Water to the Polar Headgroup of Dimethyldodecylamine-N-oxide

Journal:

ChemPhysChem

Année:

2007

Langue:

english

Fichier:

PDF, 155 KB

english, 2007

Inter- and intramolecular potential for the N-formylglycinamide-water system. A comparison between theoretical modeling and empirical force fields

Jose Manuel Hermida-Ramón, Steve Brdarski, Gunnar Karlström, Ulf Berg

Journal:

Année:

2003

Langue:

english

Fichier:

PDF, 463 KB

english, 2003

An intramolecular induction correction model of the molecular dipole moment

Journal:

Asbjørn Holt, Gunnar Karlstrøm

Année:

2008

Langue:

english

Fichier:

PDF, 312 KB

english, 2008

Induction correction model for rotation of two or three dihedral angles

Journal:

Année:

2008

Langue:

english

Fichier:

PDF, 256 KB

english, 2008

Inclusion of the quadrupole moment when describing polarization. The effect of the dipole-quadrupole polarizability

Journal:

Année:

2008

Langue:

english

Fichier:

PDF, 84 KB

english, 2008

Inclusion of the quadrupole moment when describing polarization. The effect of the dipole-quadrupole polarizability

Journal:

Asbjørn Holt, Jonas Boström, Gunnar Karlström, Roland Lindh

Année:

2008

Langue:

english

Fichier:

PDF, 38 KB

english, 2008

A NEMO potential that includes the dipole–quadrupole and quadrupole–quadrupole polarizability

Journal:

Année:

2010

Langue:

english

Fichier:

PDF, 194 KB

english, 2010

On the possibility of improving the integral evaluation section in ab initio Hartree–Fock calculations on large molecules

Journal:

Gunnar Karlström, Sven Engström, Bo Jönsson

Année:

1981

Langue:

english

Fichier:

PDF, 323 KB

english, 1981

Multiconfigurational SCF and Cl calculations on CH2O2. An intermediate in the ozonolysis ethylene

Journal:

Gunnar Karlström, Björn O. Roos

Année:

1979

Langue:

english

Fichier:

PDF, 372 KB

english, 1979

A multiconfigurational scf study of the transformation of methylene peroxide to dioxirane Intermediates in the ozonolysis of ethylene

Journal:

Gunnar Karlström, Björn O. Roos, Andrzej J. Sadlej

Année:

1981

Langue:

english

Fichier:

PDF, 435 KB

english, 1981

Ground-state dipole polarizability of lithium hydride. Accurate SCF and CAS SCF calculations

Journal:

Per-Olof Åstrand, Gunnar Karlström

Année:

1982

Langue:

english

Fichier:

PDF, 626 KB

english, 1982

A bound HCl− species: an ab initio quantum-chemical study

Journal:

Anders Bernhardsson, Roland Lindh, Gunnar Karlström, Björn O. Roos

Année:

1990

Langue:

english

Fichier:

PDF, 417 KB

english, 1990

Direct self-consistent reaction field with Pauli repulsion: solvation effects on methylene peroxide

Journal:

Anders Carlsson, Gunnar Karlström, Björn Lindman

Année:

1996

Langue:

english

Fichier:

PDF, 633 KB

english, 1996

Thermal gelation of nonionic cellulose ethers and ionic surfactants in water

Journal:

Colloids and Surfaces

Année:

1990

Langue:

english

Fichier:

PDF, 1.22 MB

english, 1990

Local government dependence on information technology and the resulting vulnerability of government operations: Position paper

Journal:

Année:

1985

Langue:

english

Fichier:

PDF, 154 KB

english, 1985

How do we sell information systems more effectively: (Discussion report)

Journal:

Année:

1986

Langue:

english

Fichier:

PDF, 207 KB

english, 1986

Information systems in local governments in Sweden

Journal:

Année:

1986

Langue:

english

Fichier:

PDF, 538 KB

english, 1986

Local governments and Information Technology (IT) in the future

Journal:

Jose Manuel Hermida-Ramón, Anders Öhrn, Gunnar Karlström

Année:

1989

Langue:

english

Fichier:

PDF, 136 KB

english, 1989

Aqueous solvent effects on structure and lowest electronic transition of methylene peroxide in an explicit solvent model

Journal:

Chemical Physics

Année:

2009

Langue:

english

Fichier:

PDF, 511 KB

english, 2009

Combined quantum chemical statistical mechanical simulations of Mg2+, Ca2+ and Sr2+ in water

Terje Tofteberg, Anders Öhrn, Gunnar Karlström

Journal:

Asbjørn Holt, Gunnar Karlström, Roland Lindh

Année:

2006

Langue:

english

Fichier:

PDF, 940 KB

english, 2006

The charge capacity of the chemical bond

Journal:

Joakim Stenhammar, Per Linse, Gunnar Karlström

Année:

2007

Langue:

english

Fichier:

PDF, 140 KB

english, 2007

A unified treatment of polar solvation using electrostatic fluctuations

Journal:

Björn Lindman, Gunnar Karlström

Année:

2011

Langue:

english

Fichier:

PDF, 272 KB

english, 2011

Nonionic polymers and surfactants: Temperature anomalies revisited

Journal:

Comptes Rendus Chimie

Année:

2009

Langue:

english

Fichier:

PDF, 404 KB

english, 2009

On the mechanism of dissolution of cellulose

Björn Lindman, Gunnar Karlström, Lars Stigsson

Journal:

Journal of Molecular Liquids

Année:

2010

Langue:

english

Fichier:

PDF, 228 KB

english, 2010

Study of the hydronium ion in water. A combined quantum chemical and statistical mechanical treatment

Jose Manuel Hermida-Ramón, Gunnar Karlström

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2004

Langue:

english

Fichier:

PDF, 223 KB

english, 2004

The CO2 complexes with HOO and HO in argon matrices

Thomas Svensson, Bengt Nelander, Gunnar Karlström

Journal:

Chemical Physics

Année:

2001

Langue:

english

Fichier:

PDF, 203 KB

english, 2001

A method to calculate the probability distribution for systems with large energy barriers

Ola Engkvist, Gunnar Karlström

Journal:

Chemical Physics

Année:

1996

Langue:

english

Fichier:

PDF, 913 KB

english, 1996

Driving forces for phase separation and partitioning in aqueous two-phase systems

Hans-Olof Johansson, Gunnar Karlström, Folke Tjerneld, Charles A Haynes

Journal:

Journal of Chromatography B: Biomedical Sciences and Applications

Année:

1998

Langue:

english

Fichier:

PDF, 182 KB

english, 1998

Lattice model calculations of interactions between proteins and surface grafted polymers with tethered affinity ligands

Gunnar Karlström, Hans-Olof Johansson

Journal:

Colloids and Surfaces B: Biointerfaces

Année:

2001

Langue:

english

Fichier:

PDF, 173 KB

english, 2001

The charge capacitance of the chemical bond: Application to bonds containing metals

Asbjørn Holt, Gunnar Karlström, Björn O. Roos

Journal:

Année:

2009

Langue:

english

Fichier:

PDF, 290 KB

english, 2009

Improvement of the NEMO potential by inclusion of intramolecular polarization

Journal:

Année:

2009

Langue:

english

Fichier:

PDF, 403 KB

english, 2009

A new approach to variational CI calculations on systems containing non-interacting molecules

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Journal:

Année:

1977

Langue:

english

Fichier:

PDF, 251 KB

english, 1977

Local polarizabilities in molecules, based onab initioHartree-Fock calculations

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Journal:

Année:

1982

Langue:

english

Fichier:

PDF, 300 KB

english, 1982

A critical study of basis set effects and the use of approximate natural orbitals in SCF-CI calculations of molecular geometries and heats of reaction

Gunnar Karlström, Bo Jönsson, Björn O. Roos, Per E. M. Siegbahn

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

1978

Langue:

english

Fichier:

PDF, 863 KB

english, 1978

A new method for approximate estimates of the dispersion interaction between two molecules