# Advanced Chemical Physics Studies

**Type:** Topics  
**Canonical URL:** https://scholariq.org/topics/advanced-chemical-physics-studies/

## Facts

| Field | Value |
| --- | --- |
| Description | This cluster of papers represents advancements in density functional theory, including the development of dispersion correction methods, ab initio parametrization, wavefunction analyzers, and continuum solvation models. It also covers topics such as semiempirical methods, van der Waals interactions, hybrid density functionals, molecular simulations, and electronic structure calculations. |
| Domain | Physical Sciences |
| Field | Physics and Astronomy |
| OpenAlex ID | t10002 |
| Works | 26 |

## Topic papers all

Showing 15 of 26.

- [Advances in methods and algorithms in a modern quantum chemistry program package](https://scholariq.org/papers/advances-in-methods-and-algorithms-in-a-modern-quantum-chemistry-program-package/)
- [A theory of the catalytic surface](https://scholariq.org/papers/a-theory-of-the-catalytic-surface/)
- [Q-Chem 2.0: a high-performanceab initio electronic structure program package](https://scholariq.org/papers/q-chem-2-0-a-high-performanceab-initio-electronic-structure-program-package/)
- [Theoretical Methods in Condensed Phase Chemistry](https://scholariq.org/papers/theoretical-methods-in-condensed-phase-chemistry/)
- [Hydrogen adsorption on palladium and palladium hydride at 1 bar](https://scholariq.org/papers/hydrogen-adsorption-on-palladium-and-palladium-hydride-at-1-bar/)
- [SkyNet: A Modular Nuclear Reaction Network Library](https://scholariq.org/papers/skynet-a-modular-nuclear-reaction-network-library/)
- [More Metal Cyanide Species: Detection of \[CLC\]AlNC\[/CLC\] (\[ITAL\]X\[/ITAL\] \[TSUP\]1\[/TSUP\]Σ\[TSUP\]+\[/TSUP\]) toward IRC +10216](https://scholariq.org/papers/more-metal-cyanide-species-detection-of-clc-alnc-clc-ital-x-ital-tsup-1-tsup/)
- [Multi-resonance effects within a single chirp in broadband rotational spectroscopy: The rapid adiabatic passage regime for benzonitrile](https://scholariq.org/papers/multi-resonance-effects-within-a-single-chirp-in-broadband-rotational/)
- [In-beam study of 254No](https://scholariq.org/papers/in-beam-study-of-254no/)
- [On the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi>Π</mml:mi></mml:mrow><mml:mrow><mml:mi>u</mml:mi></mml:mrow><mml:mrow/><mml:mrow/><mml:mrow/><mml:mprescripts/><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow><mml:mrow/><mml:mrow/></mml:mmultiscripts></mml:mrow><mml:mo>→</mml:mo><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi>Π</mml:mi></mml:mrow><mml:mrow><mml:mi>g</mml:mi></mml:mrow><mml:mrow/><mml:mrow/><mml:mrow/><mml:mprescripts/><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow><mml:mrow/><mml:mrow/></mml:mmultiscripts></mml:mrow></mml:math>Bands of C<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow><mml:mrow/><mml:mrow/><mml:mrow><mml:mo>+</mml:mo></mml:mrow></mml:mmultiscripts></mml:mrow></mml:math>. Part I](https://scholariq.org/papers/on-the-mml-math-xmlns-mml-http-www-w3-org-1998-math-mathml-display-inline-mml/)
- [Electronic properties and band model of carbons](https://scholariq.org/papers/electronic-properties-and-band-model-of-carbons/)
- [Hydration profiles of aromatic amino acids: conformations and vibrations of <scp>l</scp> -phenylalanine–(H <sub>2</sub> O) <sub>n</sub> clusters](https://scholariq.org/papers/hydration-profiles-of-aromatic-amino-acids-conformations-and-vibrations-of-scp-l/)
- [Addition spectra of Wigner islands of electrons on superfluid helium](https://scholariq.org/papers/addition-spectra-of-wigner-islands-of-electrons-on-superfluid-helium/)
- [Kinetics of Liquid Phase Catalytic Hydrogenation of Dicyclopentadiene over Pd/C Catalyst](https://scholariq.org/papers/kinetics-of-liquid-phase-catalytic-hydrogenation-of-dicyclopentadiene-over-pd-c/)
- [Energy band structure of beryllium and magnesium](https://scholariq.org/papers/energy-band-structure-of-beryllium-and-magnesium/)

## Topic primary papers

- [Advances in methods and algorithms in a modern quantum chemistry program package](https://scholariq.org/papers/advances-in-methods-and-algorithms-in-a-modern-quantum-chemistry-program-package/)
- [Q-Chem 2.0: a high-performanceab initio electronic structure program package](https://scholariq.org/papers/q-chem-2-0-a-high-performanceab-initio-electronic-structure-program-package/)
- [On the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi>Π</mml:mi></mml:mrow><mml:mrow><mml:mi>u</mml:mi></mml:mrow><mml:mrow/><mml:mrow/><mml:mrow/><mml:mprescripts/><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow><mml:mrow/><mml:mrow/></mml:mmultiscripts></mml:mrow><mml:mo>→</mml:mo><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi>Π</mml:mi></mml:mrow><mml:mrow><mml:mi>g</mml:mi></mml:mrow><mml:mrow/><mml:mrow/><mml:mrow/><mml:mprescripts/><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow><mml:mrow/><mml:mrow/></mml:mmultiscripts></mml:mrow></mml:math>Bands of C<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow><mml:mrow/><mml:mrow/><mml:mrow><mml:mo>+</mml:mo></mml:mrow></mml:mmultiscripts></mml:mrow></mml:math>. Part I](https://scholariq.org/papers/on-the-mml-math-xmlns-mml-http-www-w3-org-1998-math-mathml-display-inline-mml/)
- [Energy band structure of beryllium and magnesium](https://scholariq.org/papers/energy-band-structure-of-beryllium-and-magnesium/)
- [Gas–surface energy exchange and thermal accommodation of CO2 and Ar in collisions with methyl, hydroxyl, and perfluorinated self-assembled monolayers](https://scholariq.org/papers/gas-surface-energy-exchange-and-thermal-accommodation-of-co2-and-ar-in/)
- [Femtosecond Time-Resolved Neighbor Roles in the Fragmentation Dynamics of Molecules in a Dimer](https://scholariq.org/papers/femtosecond-time-resolved-neighbor-roles-in-the-fragmentation-dynamics-of/)
- [Theoretical Investigation on Stability and Isomerizations of CH<sub>3</sub>SO Isomers](https://scholariq.org/papers/theoretical-investigation-on-stability-and-isomerizations-of-ch-sub-3-sub-so/)
- [Ab Initio Study of the Low-Lying Electronic States of Indene](https://scholariq.org/papers/ab-initio-study-of-the-low-lying-electronic-states-of-indene/)
- [Structure of mercury(II) halides in solution and assignment of their resolved electronic spectra](https://scholariq.org/papers/structure-of-mercury-ii-halides-in-solution-and-assignment-of-their-resolved/)

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Source: ScholarIQ — public research metadata, principally OpenAlex. See https://scholariq.org/sources/ for provenance and https://scholariq.org/methodology/ for what these figures mean.