Home

Tahiti Sei aufgeregt Gesellig j comput chem jpn Verstärker Katastrophe Klimaberge

Social Science Japan Journal Template - Oxford University Press
Social Science Japan Journal Template - Oxford University Press

PDF) Chemoinformatics – An Important Scientific Discipline
PDF) Chemoinformatics – An Important Scientific Discipline

Differences between Gaussian and GAMESS Basis Sets (II) ―6-31G and 6-31G*― [Published online J. Comput. Chem. Jpn. Int. Ed., 7, -, by J-STAGE] | Journal of Computer Chemistry, Japan
Differences between Gaussian and GAMESS Basis Sets (II) ―6-31G and 6-31G*― [Published online J. Comput. Chem. Jpn. Int. Ed., 7, -, by J-STAGE] | Journal of Computer Chemistry, Japan

Structure‐ and Interaction‐Based Design of Anti‐SARS‐CoV‐2 Aptamers - Mironov - 2022 - Chemistry – A European Journal - Wiley Online Library
Structure‐ and Interaction‐Based Design of Anti‐SARS‐CoV‐2 Aptamers - Mironov - 2022 - Chemistry – A European Journal - Wiley Online Library

IFIE prediction (TrpCage). | Download Scientific Diagram
IFIE prediction (TrpCage). | Download Scientific Diagram

MOLDA for Protein Modeling: A Molecular Modeling Program for Biological Molecules
MOLDA for Protein Modeling: A Molecular Modeling Program for Biological Molecules

PDF) Phase Diagram for a Lennard-Jones System Obtained through Constant-Pressure Molecular Dynamics Simulations
PDF) Phase Diagram for a Lennard-Jones System Obtained through Constant-Pressure Molecular Dynamics Simulations

GFN2-xTB—An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions | Journal of Chemical Theory and Computation
GFN2-xTB—An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions | Journal of Chemical Theory and Computation

Untitled
Untitled

Dr. Jun Kawakami
Dr. Jun Kawakami

Hansen Solubility Parameters (HSP) and Poly-chlorinated compounds' carcinogenicity
Hansen Solubility Parameters (HSP) and Poly-chlorinated compounds' carcinogenicity

PDF) An Extended van der Waals Equation of State Based on Molecular Dynamics Simulation
PDF) An Extended van der Waals Equation of State Based on Molecular Dynamics Simulation

EVOLUTIONALLY SEARCH WITH DENSITY FUNCTIONAL CALCULATIONS FOR A NEW CLASS OF ONE- DIMENSIONAL ELECTRIDE Tomofumi Tada, Materials
EVOLUTIONALLY SEARCH WITH DENSITY FUNCTIONAL CALCULATIONS FOR A NEW CLASS OF ONE- DIMENSIONAL ELECTRIDE Tomofumi Tada, Materials

Theoretical Study on Geometrical Isotope Effect and Rotational Constants of Polyatomic Molecules
Theoretical Study on Geometrical Isotope Effect and Rotational Constants of Polyatomic Molecules

3D Molecular Similarity: Method and Algorithms
3D Molecular Similarity: Method and Algorithms

Computational Chemistry Methods for Nanoporous Materials | Chemistry of Materials
Computational Chemistry Methods for Nanoporous Materials | Chemistry of Materials

Untitled
Untitled

Computational Organic Chemistry: Bridging Theory and Experiment in Establishing the Mechanisms of Chemical Reactions | Journal of the American Chemical Society
Computational Organic Chemistry: Bridging Theory and Experiment in Establishing the Mechanisms of Chemical Reactions | Journal of the American Chemical Society

A Three-Dimensional Representation of Born's Probability Densities of Hydrogen Atomic Orbitals in Glass Blocks
A Three-Dimensional Representation of Born's Probability Densities of Hydrogen Atomic Orbitals in Glass Blocks

PDF) Phase Diagram of a Lennard-Jones System by Molecular Dynamics Simulations
PDF) Phase Diagram of a Lennard-Jones System by Molecular Dynamics Simulations

In situ high pressure IR spectroscopic observations on the upper mantle anhydrous min- erals using diamond anvil cell
In situ high pressure IR spectroscopic observations on the upper mantle anhydrous min- erals using diamond anvil cell

Pure and Applied Chemistry
Pure and Applied Chemistry

PDF) Study on Raffenetti's P File Format in Conventional Ab Initio Self-Consistent-Field Molecular Orbital Calculations in Parallel Computational Environment
PDF) Study on Raffenetti's P File Format in Conventional Ab Initio Self-Consistent-Field Molecular Orbital Calculations in Parallel Computational Environment

Recent Developments of Computational Methods for pKa Prediction Based on Electronic Structure Theory with Solvation Models
Recent Developments of Computational Methods for pKa Prediction Based on Electronic Structure Theory with Solvation Models