Theoretical and computational chemistry

Universal Zero Phase Theory - Structural Origin of Recursion Across Reality Constructs

preprint posted on 2025-06-17

Don Gaconnet

G-SchNet for THz Radiation Detection

dataset posted on 2025-06-16

SparkCheck Unified Resonance Compendium: 2025 Edition

dataset posted on 2025-06-14

Part II | Gravitational Density Structure in the Spacetime Medium: The Cosmic Battery Hypothesis

dataset posted on 2025-06-14

Gravity as Medium Byproduct: A New Framework for Density, Energy, and Harmonic Interaction in Spacetime

dataset posted on 2025-06-13

ONLINE RESOURCE

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

online resource posted on 2025-06-13

Begüm Yıldırım

Experimental Validation of Trigonometric-Algebraic Models in Chemical Field Applications

preprint posted on 2025-06-13

Begüm Yıldırım

JOURNAL CONTRIBUTION

Raw DFT calculations

journal contribution posted on 2025-06-12

Pere Miro Ramirez

dataset

dataset posted on 2025-06-09

Honghui Shang

QMOF Database

dataset posted on 2025-06-03

Andrew Rosen

Quantum mechanics as Geometric Determinism applied towards genetic mutation diagnosis

dataset posted on 2025-06-02

Linda Lin

A Differential Geometric Model for Energy-Time Integration in Many-Electron Quantum Systems

preprint posted on 2025-05-30

Begüm Yıldırım

OpenREACT-CHON-EFH — Open REaction Dataset of Atomic ConfiguraTions comprising C, H, O, N with Energies, Forces, and Hessians

dataset posted on 2025-05-29

Diels-Alder reaction space for self-healing polymer

dataset posted on 2025-05-27

IS TIME A 3D CUBE, LIKE SPACE?

journal contribution posted on 2025-05-26

Apeiron's Identity: Quantum Physics Of Consciousness And Post Mortality Engineering Full Book

book posted on 2025-05-26

White Paper on Apeiron Modified Thermodynamics.pdf

journal contribution posted on 2025-05-26

Quantum Memory in Nitrogen-Vacancy Diamonds at Millikelvin Temperatures.pdf

journal contribution posted on 2025-05-26

GUHCT Supplement: Formal Axioms, Cross-Domain Computational Mapping, and Falsifiable Experimental Criteria (Room-Temperature Superconducting)

dataset posted on 2025-05-23

Anthony Jordon

Computational quantum chemical dataset of interacting molecular pairs (IMP dataset version 1.0)

dataset posted on 2025-05-22

Seunghun Jang

Grand Unified Harmonic Collapse Theory: Formal Mathematical Foundations and the Emergence of Physical Laws

thesis posted on 2025-05-22

Anthony Jordon

Benchmarking Density Functional Methods for Accurate Prediction of Ground and Excited State Reduction and Oxidation Potentials of Organic Photoredox Catalysts

dataset posted on 2025-05-22

TMQM filtered dataset with QTAIM values

dataset posted on 2025-05-19

9months

24days

FILES UNDER EMBARGO

Electron-phonon interactions in atomically thin topological insulators

thesis posted on 2025-05-13 in Monash University

Enamul Haque

<b>Volume 1: Apeiron’s Identity: </b><b>The Quantum Physics of Consciousness</b>

Volume 1: Apeiron’s Identity: The Quantum Physics of Consciousness

book posted on 2025-05-11

collection:
RSCPoster Cartoons

posted on 2025-05-09 in ErrantScience

Matthew Partridge

Volume 1: Apeiron’s Identity: The Quantum Physics of Consciousness

book posted on 2025-05-09

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

dataset posted on 2025-05-05

Drippy Stone

SOFTWARE

A Descriptor Is All You Need: Accurate Machine Learning of Nonadiabatic Coupling Vectors

software posted on 2025-05-05

Numerical Drift-Field Validation of OFG: Binding Energy, Neutrino Delays, and Lensing Deviations from First Principles

preprint posted on 2025-05-02

Drippy Stone

TDCM25

dataset posted on 2025-04-30

Can Polat

Quantum Entanglement Bridge between Virtual Particle and Anti-Time Domain

dataset posted on 2025-04-25

Enhanced Phase Dominance Simulation for Anti-Time Energy Shift

dataset posted on 2025-04-25

Quantum Simulation of Anti-Time Contribution to Cosmic Expansion (Friedmann Model)

dataset posted on 2025-04-25

Strong Phase Modulation for Accelerated Dark Energy Conversion

dataset posted on 2025-04-25

Quantum Simulation of Anti-Matter to Dark Energy Transition

dataset posted on 2025-04-25

Quantum Entropy and Density Matrix Simulation via Entangled Virtual Particles

dataset posted on 2025-04-25

Oracle-Based Quantum Simulation of Energy Conversion Efficiency

dataset posted on 2025-04-25