NAST 2.0: Magnetic Field Effects and Marcus-Levich-Jortner Theory for Complex Open-Shell Systems.

Ilya D Dergachev, Vsevolod D Dergachev, Mitra Rooein, Yash H Patel, Philip S Weiss, Claudia E Avalos, Sergey A Varganov

Abstract read

In one paragraph

Article in ACS omega, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it

0cells of the map it votes in

0citing papers in PubMed

–field-weighted citation impact

1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

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Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

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0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

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PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

7 authors.

Ilya D DergachevMolecular Design Institute, Department of Chemistry, New York University, New York City 10003, New York, United States.

Vsevolod D DergachevDepartment of Chemistry, University of Nevada, Reno, Reno 89557-0216, Nevada, United States.

Mitra RooeinDepartment of Chemistry for Life Sciences, Uppsala University, 75123 Uppsala, Sweden.

Yash H PatelMolecular Design Institute, Department of Chemistry, New York University, New York City 10003, New York, United States.

Philip S WeissMolecular Design Institute, Department of Chemistry, New York University, New York City 10003, New York, United States.

Claudia E AvalosMolecular Design Institute, Department of Chemistry, New York University, New York City 10003, New York, United States.ORCID https://orcid.org/0000-0001-6412-0237

Sergey A VarganovDepartment of Chemistry, University of Nevada, Reno, Reno 89557-0216, Nevada, United States.ORCID https://orcid.org/0000-0001-8301-3891

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

We present a new version of the nast software package for predicting the kinetics of unimolecular spin-dependent processes, including intersystem crossings, spin-forbidden reactions, and spin crossovers with nonadiabatic statistical theory. With substantial extensions and upgrades, the new nast 2.0 release enables the calculations of (1) rate constants for spin-dependent reactions in an external magnetic field, (2) Marcus-Levich-Jortner rate constants with a new mlj program for complex open-shell systems, (3) Huang-Rhys factors and reorganization energies with a new

Identifiers

PMID42852274

DOI10.1021/acsomega.6c07270

PMCPMC13647926

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.