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ChemRxiv: Preprint-Publikationen

Tom Frömbgen · Elizaveta Surzhikova et al.

Uncertainty Quantification for In Silico Chemistry

15.01.2026

Andrew Logsdail · Pavel Stishenko et al.

Practical integration of machine learning into ab initio calculations and workflows: Accelerating the SCF cycle via density matrix predictions

15.01.2026

Michael Quagliata · Justin Desjardins-Michaud et al.

Scaling Azapeptide with N-Fmoc-Aza-tripeptide from Resonant Acoustic Mixing of N-Fmoc-Amino Hydrazide and N-Succinimidyl Carbamate

15.01.2026

Babaa Moulay Rachid

Electrochemical inference of reduced thermodynamic descriptors for electrolyte non-ideality

15.01.2026

Tom Frömbgen · Elizaveta Surzhikova et al.

Uncertainty Quantification for In Silico Chemistry

15.01.2026

Andrew Logsdail · Pavel Stishenko et al.

Practical integration of machine learning into ab initio calculations and workflows: Accelerating the SCF cycle via density matrix predictions

15.01.2026

Michael Quagliata · Justin Desjardins-Michaud et al.

Scaling Azapeptide with N-Fmoc-Aza-tripeptide from Resonant Acoustic Mixing of N-Fmoc-Amino Hydrazide and N-Succinimidyl Carbamate

15.01.2026

Babaa Moulay Rachid

Electrochemical inference of reduced thermodynamic descriptors for electrolyte non-ideality

15.01.2026

Jean-Louis Reymond · Markus Orsi

Assigning the Stereochemistry of Natural Products by Machine Learning

15.01.2026

Jacob Olchowka · Cédric Tassel et al.

Sodium Sulfate in the Li-ion Battery Industry: Challenges, Opportunities, and Emerging Valorization Strategies

15.01.2026

Espoir M. Murhula · Wennie Wang et al.

The Role of Na2CO3 in the Selective Flotation of Ca-activated Spodumene and Quartz

15.01.2026

Matej Baláž · Patrik Jacko et al.

Rapid, sustainable and scalable synthesis of nanocrystalline copper sulfide via intensive mixing of elements

15.01.2026

Michel Frigoli · Kais Dhbaibi et al.

High Brightness in Bis(tri-isopropylsilyl)ethynyl-Functionalized Polycyclic Aromatic Hydrocarbons: Localized Representation Versus Clar’s Model

15.01.2026

Yuhan Wu · Xiaorui Hao et al.

Advancing Calcium-Ion Batteries with a Novel Hydrated Eutectic Electrolyte

15.01.2026