Theory of ab initio molecular-dynamics calculations

A Possible Role of Human Herpes Viruses Belonging to the Subfamily Alphaherpesvirinae in the Development of Some Cancers.

Klinicka onkologie : casopis Ceske a Slovenske onkologicke spolecnosti·2018

Spontaneous formation and stability of small GaP fullerenes

Physical review letters·2000

A single calibration graph for the direct determination of ascorbic and dehydroascorbic acids by electrogenerated luminescence based on Ru(bpy)(3)2+ in aqueous solution

Analytical chemistry·2000

Relapsing neoplastic seeding after percutaneous ethanol injection for hepatocellular carcinoma. Clinical and ultrasonographic findings in a cirrhotic patient.

European journal of ultrasound : official journal of the European Federation of Societies for Ultrasound in Medicine and Biology·1998

Comprehensive School-Based Health Centers: Implementing the Model.

Adolescent medicine (Philadelphia, Pa.)·1996

Degenerate Bose-Fermi mixtures of rubidium and ytterbium.

Physical review. A, Atomic, molecular, and optical physics·2024

X-ray Emission Measurements following Charge Exchange Between C6+ and He.

Physical review. A, Atomic, molecular, and optical physics·2019

Quantum and classical dynamics of a Bose-Einstein condensate in a large-period optical lattice.

Physical review. A, Atomic, molecular, and optical physics·2019

Wigner high-electron-correlation regime of nonuniform density systems: A quantal-density-functional-theory study.

Physical review. A, Atomic, molecular, and optical physics·2019

Resonant control of polar molecules in individual sites of an optical lattice.

Physical review. A, Atomic, molecular, and optical physics·2017

Injection Locking of a Semiconductor Double Quantum Dot Micromaser.

Physical review. A, Atomic, molecular, and optical physics·2017

Quantitative evaluation of TD-DFT functionals for UV-vis spectroscopy in Ni and Co complexes.

Physical chemistry chemical physics : PCCP·2026

Synthesis and multimodal characterization of flavonols: electrochemical, spectroscopic, and DFT approaches.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy·2026

Charge localization in diatomic ions investigated with a dipole driven approach. II. Interplay with the spin-orbit coupling and polarization models, test for (KrXe).

The Journal of chemical physics·2026

Quantum Methods in Drug Discovery: An Introduction to the Theoceptor (Theoretical Receptor) Approach.

Methods in molecular biology (Clifton, N.J.)·2026

Quantum Chemistry in Drug Design: Applications, Challenges, and the Need for Speed.

Methods in molecular biology (Clifton, N.J.)·2026

QSPR modeling of physicochemical properties of SSRI and SNRI antidepressants using advanced molecular graph descriptors.

Scientific reports·2026

Related Experiment Videos

Theory of ab initio molecular-dynamics calculations

Related Concept Videos

A Possible Role of Human Herpes Viruses Belonging to the Subfamily Alphaherpesvirinae in the Development of Some Cancers.

Spontaneous formation and stability of small GaP fullerenes

A single calibration graph for the direct determination of ascorbic and dehydroascorbic acids by electrogenerated luminescence based on Ru(bpy)(3)2+ in aqueous solution

Relapsing neoplastic seeding after percutaneous ethanol injection for hepatocellular carcinoma. Clinical and ultrasonographic findings in a cirrhotic patient.

Comprehensive School-Based Health Centers: Implementing the Model.

Degenerate Bose-Fermi mixtures of rubidium and ytterbium.

X-ray Emission Measurements following Charge Exchange Between C6+ and He.

Quantum and classical dynamics of a Bose-Einstein condensate in a large-period optical lattice.

Wigner high-electron-correlation regime of nonuniform density systems: A quantal-density-functional-theory study.

Resonant control of polar molecules in individual sites of an optical lattice.

Injection Locking of a Semiconductor Double Quantum Dot Micromaser.

Quantitative evaluation of TD-DFT functionals for UV-vis spectroscopy in Ni and Co complexes.

Synthesis and multimodal characterization of flavonols: electrochemical, spectroscopic, and DFT approaches.

Charge localization in diatomic ions investigated with a dipole driven approach. II. Interplay with the spin-orbit coupling and polarization models, test for (KrXe).

Quantum Methods in Drug Discovery: An Introduction to the Theoceptor (Theoretical Receptor) Approach.

Quantum Chemistry in Drug Design: Applications, Challenges, and the Need for Speed.

QSPR modeling of physicochemical properties of SSRI and SNRI antidepressants using advanced molecular graph descriptors.

Related Experiment Videos

Theory of ab initio molecular-dynamics calculations

Related Concept Videos

Related Articles