Physical chemistry

RSS feed

AllSEARCH

sort by:

Be safe, wear sunglasses... especially if you are a molecule

figure posted on 2025-05-09 in ErrantScience

Matthew Partridge

Oscillatory Field Genesis: The Emergent Architecture of Spacetime, Matter, and Memory

dataset posted on 2025-05-05

Drippy Stone

DATASET

Dataset for “Metal-ligand delocalization of iron and cobalt protoporphyrin complexes in aqueous solutions probed by soft X-ray absorption spectroscopy”

dataset posted on 2025-05-04

DATASET

Ionic Electro-Dehydration Induced Angstrom-Scale Membrane Channel Regulation for Programmable Ionic and Molecular Separations

dataset posted on 2025-05-01

Haiguang Zhang

DATASET

Dataset for "Data to Physics in Minutes: An Agentic Large Language Model Solves a Competitive Adsorption Puzzle"

dataset posted on 2025-04-29

Preferential Binding of a Chlorophyll Derivative by a Water-Soluble Chlorophyll Protein Mutant

thesis posted on 2025-04-27 in Purdue University Graduate School

MANIPULATION OF ENERGY TRANSFER IN DELOCALIZED FRENKEL EXCITONS WITHIN MOLECULAR ASSEMBLIES

thesis posted on 2025-04-26 in Purdue University Graduate School

Galina Grechishnikova

collection:
2025 Baxter et al. Molecules

posted on 2025-04-08

Joerg Zimmermann

DATASET

titration data.xlsx

dataset posted on 2025-04-08

Joerg Zimmermann

DATASET

Dataset for "Thermoplasmonic polymersome membranes by in situ synthesis"

dataset posted on 2025-04-07

Verification of Quantum Cyclic Energy Models through Parametric Agreement (E₁ and E₂)

preprint posted on 2025-04-04

Begüm Yıldırım

DATASET

Polymer crystallization: Universal macroscopic description via autocatalytic Hoffman-Lauritzen approach

dataset posted on 2025-04-03

Roman Svoboda

ONLINE RESOURCE

Collected Scientific and Interdisciplinary Works by Begüm Yıldırım (2024–2025)

online resource posted on 2025-04-02

Begüm Yıldırım

Abiogenesis and Accelerated Eukaryogenesis

preprint posted on 2025-03-25

Mu Meson

<b>Resolution of the f</b><sub><strong>l</strong></sub><b> Variable in the Drake Equation</b>

Resolution of the f_l Variable in the Drake Equation

preprint posted on 2025-03-25

Mu Meson

DATASET

Source Data .xlsx

dataset posted on 2025-03-15

Udit Kumar Chakraborty

FIGURE

A Browser-Based Tool for Assessing Accuracy of ITC-Derived Parameters: Kd, ΔH°, and n

figure posted on 2025-02-27

figures for polyelectrolytes

figure posted on 2025-02-22

DATASET

Discovering Organic Reactions with a Machine-Learning-Powered Deciphering of Tera-Scale Mass Spectrometry Data

dataset posted on 2025-02-17

DATASET

Exposing active sites in zeolites with fluoropyridines as NMR probe molecules

dataset posted on 2025-02-14 in University of Manchester

Electrospun composite nanofibres produced from Moringa oleifera (M. oleifera) seed biomass blended with polyacrylonitrile (PAN) polymer and metal oxide nanoparticles (MONPs)

dataset posted on 2025-01-30 in University of Pretoria

Ronald Ngulube

Effectiveness of adsorbent films for the adsorptive removal of organic dyes, particularly methylene blue (MB) from aqueous solutions

dataset posted on 2025-01-30 in University of Pretoria

Lebogang Manamela

Metal-organic frameworks (MOFs) – MOF-5, Cu-BTC, and Ir(III)CpCl@COMOC-4 – as electrocatalysts for CO<sub>2</sub> reduction

Metal-organic frameworks (MOFs) – MOF-5, Cu-BTC, and Ir(III)CpCl@COMOC-4 – as electrocatalysts for CO₂ reduction

dataset posted on 2025-01-30 in University of Pretoria

Saraswati Sharma

The Development of Small-Volume Techniques for the Rapid Study of Protein Structure

thesis posted on 2025-01-10 in Purdue University Graduate School

Jacob Hnatusko Wat

<b>Definitive Proof of the Riemann Hypothesis and the</b><b>Distribution of Prime Numbers</b>

Definitive Proof of the Riemann Hypothesis and theDistribution of Prime Numbers

preprint posted on 2025-01-08

<b>Resolution of the Riemann Hypothesis and </b><b> the Hilbert-Pólya Conjecture</b>

Resolution of the Riemann Hypothesis and the Hilbert-Pólya Conjecture

preprint posted on 2024-12-29

Héctor Manuel Quezada Quiñonez

The role of potential energy landscape research in the development of new electrolyte solutions

journal contribution posted on 2024-12-27

Vitaly V. Chaban

DATASET

Supplementary Dataset for "The Interplay of Ion Mobility Mass Spectrometry and Computational Modelling for Structure Elucidation of Small Molecules: An Upper-Level Undergraduate Experiment"

dataset posted on 2024-12-18

Molecular Insights into the Interactions Between Human Serum Albumin and Phospholipid Membranes

journal contribution posted on 2024-12-17

Maciej Przybyłek

DATASET

dataset for paper ''Reactivatable stimulated emission depletion microscopy using fluorescence-recoverable nanographene''

dataset posted on 2024-12-13

Qiqi Yang

DATASET

Thermal Stability and Photostability of Highly Confined Molecular Nanocomposites

dataset posted on 2024-12-12

Cindy Chen

DATASET

Studies of the Mechanically Induced Reactivity of Graphene with Water Using a 2D-Materials Strain Reactor

dataset posted on 2024-11-26

DATASET

GDB9-W1-F12 database of CCSD(T)/CBS total atomization energies for 3366 organic species from W1-F12 theory.

dataset posted on 2024-11-26

Amir Karton

FIGURE

Improving ITC Accuracy: Analytical Solution for Error Propagation in the Determination of Equilibrium Constants

figure posted on 2024-11-21

Structural characteristics and fluorescence properties of two families of coordination complexes comprised of metal halides and naphthalimide derivatives

dataset posted on 2024-11-18 in University of Pretoria

This study investigates the theoretical effects of Pt (Platinum) and Cu (Copper) catalysts on the energy barriers of chemical reactions. Catalysts play a crucial role in accelerating chemical reactions by lowering activation energy, thereby increasing reaction rates. Using a theoretical model, defined as Ecatalyst= catalyst.∆E İnfluence of catalysts on activation energy was analyzed. Simulations were conducted over a temperature range of 250 K to 500 K, with different activation energies assigned for catalyzed and uncatalyzed reactions. The results demonstrate that catalysts significantly reduce activation energy, aligning well with experimental findings in the literature. This work provides a robust framework for understanding the effects of catalysts on energy barriers and lays the foundation for further experimental validation.The author acknowledges the use of OpenAI’s language model for assistance in drafting certain sections of this workl

conference contribution posted on 2024-11-17

Begüm Yıldırım

DATASET

Yokoyama et al., Supplementary Data for "Prediction of Li-ion Conductivity in Ca and Si co-doped LiZr₂(PO₄)₃ Using a Denoising Autoencoder for Experimental Data"

dataset posted on 2024-11-14

DATASET

High-throughtput search for photostrictive materials based on a thermodynamic descriptor

dataset posted on 2024-11-14

Zeyu Xiang

Supporting data for Manuscript: "Vapor Phase Growth of NiO Thin Films in the Presence of Water Vapor: Insights from Experiments and Theory", by <i>Mattia Benedet,</i> <i>Chiara Maccato,</i>*<i> Gioele Pagot,</i><i> Cristiano Invernizzi,</i><sup> </sup><i>Cinzia Sada,</i><i> </i><i>Vito Di Noto,</i><i> Gian Andrea Rizzi,</i><i> Ettore Fois, </i><i>Gloria Tabacchi,*</i><i> and Davide Barreca</i>

Supporting data for Manuscript: "Vapor Phase Growth of NiO Thin Films in the Presence of Water Vapor: Insights from Experiments and Theory", by Mattia Benedet, *Chiara Maccato,** Gioele Pagot, Cristiano Invernizzi,Cinzia Sada, Vito Di Noto, Gian Andrea Rizzi, Ettore Fois, Gloria Tabacchi,* and Davide Barreca

dataset posted on 2024-11-13

[ARTICLE] Spin-based Atomic Periodic Model — Beyond the Periodic Table (Canadian Journal of Applied Physics Research / 2024)

journal contribution posted on 2024-11-07

Luis Teia

Physical chemistry

Be safe, wear sunglasses... especially if you are a molecule

Oscillatory Field Genesis: The Emergent Architecture of Spacetime, Matter, and Memory

Dataset for “Metal-ligand delocalization of iron and cobalt protoporphyrin complexes in aqueous solutions probed by soft X-ray absorption spectroscopy”

Ionic Electro-Dehydration Induced Angstrom-Scale Membrane Channel Regulation for Programmable Ionic and Molecular Separations

Dataset for "Data to Physics in Minutes: An Agentic Large Language Model Solves a Competitive Adsorption Puzzle"

Preferential Binding of a Chlorophyll Derivative by a Water-Soluble Chlorophyll Protein Mutant

MANIPULATION OF ENERGY TRANSFER IN DELOCALIZED FRENKEL EXCITONS WITHIN MOLECULAR ASSEMBLIES

collection: 2025 Baxter et al. Molecules

titration data.xlsx

Dataset for "Thermoplasmonic polymersome membranes by in situ synthesis"

Verification of Quantum Cyclic Energy Models through Parametric Agreement (E₁ and E₂)

Polymer crystallization: Universal macroscopic description via autocatalytic Hoffman-Lauritzen approach

Collected Scientific and Interdisciplinary Works by Begüm Yıldırım (2024–2025)

Abiogenesis and Accelerated Eukaryogenesis

Resolution of the fl Variable in the Drake Equation

Source Data .xlsx

A Browser-Based Tool for Assessing Accuracy of ITC-Derived Parameters: Kd, ΔH°, and n

figures for polyelectrolytes

Discovering Organic Reactions with a Machine-Learning-Powered Deciphering of Tera-Scale Mass Spectrometry Data

Exposing active sites in zeolites with fluoropyridines as NMR probe molecules

Electrospun composite nanofibres produced from Moringa oleifera (M. oleifera) seed biomass blended with polyacrylonitrile (PAN) polymer and metal oxide nanoparticles (MONPs)

Effectiveness of adsorbent films for the adsorptive removal of organic dyes, particularly methylene blue (MB) from aqueous solutions

Metal-organic frameworks (MOFs) – MOF-5, Cu-BTC, and Ir(III)CpCl@COMOC-4 – as electrocatalysts for CO2 reduction

The Development of Small-Volume Techniques for the Rapid Study of Protein Structure

Definitive Proof of the Riemann Hypothesis and theDistribution of Prime Numbers

Resolution of the Riemann Hypothesis and the Hilbert-Pólya Conjecture

The role of potential energy landscape research in the development of new electrolyte solutions

Supplementary Dataset for "The Interplay of Ion Mobility Mass Spectrometry and Computational Modelling for Structure Elucidation of Small Molecules: An Upper-Level Undergraduate Experiment"

Molecular Insights into the Interactions Between Human Serum Albumin and Phospholipid Membranes

dataset for paper ''Reactivatable stimulated emission depletion microscopy using fluorescence-recoverable nanographene''

Thermal Stability and Photostability of Highly Confined Molecular Nanocomposites

Studies of the Mechanically Induced Reactivity of Graphene with Water Using a 2D-Materials Strain Reactor

GDB9-W1-F12 database of CCSD(T)/CBS total atomization energies for 3366 organic species from W1-F12 theory.

Improving ITC Accuracy: Analytical Solution for Error Propagation in the Determination of Equilibrium Constants

Structural characteristics and fluorescence properties of two families of coordination complexes comprised of metal halides and naphthalimide derivatives

Yokoyama et al., Supplementary Data for "Prediction of Li-ion Conductivity in Ca and Si co-doped LiZr2(PO4)3 Using a Denoising Autoencoder for Experimental Data"

High-throughtput search for photostrictive materials based on a thermodynamic descriptor

[ARTICLE] Spin-based Atomic Periodic Model — Beyond the Periodic Table (Canadian Journal of Applied Physics Research / 2024)

collection:
2025 Baxter et al. Molecules

Resolution of the f_l Variable in the Drake Equation

Metal-organic frameworks (MOFs) – MOF-5, Cu-BTC, and Ir(III)CpCl@COMOC-4 – as electrocatalysts for CO₂ reduction

Yokoyama et al., Supplementary Data for "Prediction of Li-ion Conductivity in Ca and Si co-doped LiZr₂(PO₄)₃ Using a Denoising Autoencoder for Experimental Data"