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Synonyme wurden verwendet für: Chemie • Physikalische Chemie
Suche ohne Synonyme: keywords:(Physikalische Chemie)
Verwendete Synonyme:
- allgemeine chemie
- chemistry
Verwendete Synonyme:
- chemische physik
- physical chemistry
- physikochemie
-
Adiabatic Polarization Potentials for the Water and Nitrogen Molecules. A Comparison of Large and Small Basis Sets
Springer Verlag | 1981|Schlagwörter: Chemistry, Physical Chemistry -
AM1-SM2 and PM3-SM3 parameterized SCF solvation models for free energies in aqueous solution
NationallizenzSpringer Verlag | 1992|Schlagwörter: Chemistry, Computer Applications in Chemistry, Physical Chemistry -
Anab initio potential energy surface and dynamics calculations for vibrational excitation of I2 by He
NationallizenzSpringer Verlag | 1985|Schlagwörter: Chemistry, Inorganic Chemistry, Organic Chemistry, Physical Chemistry, Theoretical and Computational Chemistry -
Application of fixed-nuclei scattering theory to electron methane elastic and inelastic differential cross sections at 10 eV impact energy
NationallizenzSpringer Verlag | 1987|Schlagwörter: Chemistry, Inorganic Chemistry, Organic Chemistry, Physical Chemistry, Theoretical and Computational Chemistry -
Are Molecular Orbitals Delocalized?
American Chemical Society | 2012|Schlagwörter: Physical Chemistry, Quantum Chemistry -
Assessing group-based cutoffs and the Ewald method for electrostatic interactions in clusters and in saturated, superheated, and supersaturated vapor phases of dipolar molecules
Springer Verlag | 2011|Schlagwörter: Chemistry, Organic Chemistry, Theoretical and Computational Chemistry, Physical Chemistry, Inorganic Chemistry -
A universal model for the quantum mechanical calculation of free energies of solvation in non-aqueous solvents
NationallizenzSpringer Verlag | 1997|Schlagwörter: Chemistry, Theoretical and Computational Chemistry, Inorganic Chemistry, Organic Chemistry, Physical Chemistry -
Chipot, C., Pohorille, A., Eds. Free Energy Calculations: Theory and Applications in Chemistry and Biology
Springer, 2007. 530 + xvii pages. $109.00 in paperback, $199.00 in hardcoverSpringer Verlag | 2008|Schlagwörter: Chemistry, Physical Chemistry, Organic Chemistry, Inorganic Chemistry, Theoretical and Computational Chemistry -
Class IV charge models: A new semiempirical approach in quantum chemistry
NationallizenzSpringer Verlag | 1995|Schlagwörter: Chemistry, Computer Applications in Chemistry, Physical Chemistry -
Comment on "Optical conversion of conical intersection to avoided crossing" by Y. Arasaki and K. Takatsuka, Phys. Chem. Chem. Phys., 2010, 12, 1239
Online Contents | 2011|Schlagwörter: Physikalische Chemie -
Comment on: van der Waals functional forms for molecular simulations
Online Contents | 1993|Schlagwörter: Chemie, Physikalische Chemie -
Computational Strategies and Improvements in the Linear Algebraic Variational Approach to Rearrangement Scattering
Springer Verlag | 1989|Schlagwörter: Chemistry, Physical Chemistry -
Continuum Solvation Models
Springer Verlag | 2002|Schlagwörter: Chemistry, Physical Chemistry, Computer Applications in Chemistry, Chemistry and Materials Science -
Converged calculations of vibrational energy transfer probabilities for the collision of two HF(v=1) molecules
NationallizenzSpringer Verlag | 1987|Schlagwörter: Chemistry, Inorganic Chemistry, Organic Chemistry, Physical Chemistry, Theoretical and Computational Chemistry -
Converged close coupling calculations for V-V energy transfer: 2HF(v=1)→HF(v=2)+HF(v=0)
NationallizenzSpringer Verlag | 1986|Schlagwörter: Chemistry, Inorganic Chemistry, Organic Chemistry, Physical Chemistry, Theoretical and Computational Chemistry -
Current Status of Transition-State Theory
Online Contents | 1996|Schlagwörter: Chemie, Physikalische Chemie -
Decoherence in Combined Quantum Mechanical and Classical Mechanical Methods for Dynamics as Illustrated for Non-Born–Oppenheimer Trajectories
NationallizenzSpringer Verlag | 2007|Schlagwörter: Chemistry, Physical Chemistry, Theoretical and Computational Chemistry -
Density-functional theory and hybrid density-functional theory continuum solvation models for aqueous and organic solvents: universal SM5.43 and SM5.43R solvation models for any fraction of Hartree-Fock exchange
Springer Verlag | 2005|Schlagwörter: Chemistry, Inorganic Chemistry, Organic Chemistry, Physical Chemistry, Theoretical and Computational Chemistry -
Determination of the Bottleneck Regions of Potential Energy Surfaces for Atom Transfer Reactions by Variational Transition State Theory
Springer Verlag | 1981|Schlagwörter: Chemistry, Physical Chemistry
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