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Paper Citation Record · LEDGER

When Theory Meets Experiment: What Does it Take to Accurately Predict $^1$H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory?

As of 21 August 2026, this Paper Citation Record lists 18 of 18 outbound references and 1 inbound Pith citation observation for arXiv:2411.12545.

A citation records a reference. It does not transfer a finding from one paper to another.

pith.paper-citation-record.v1
2411.12545 v2

Coverage vector

measured 18 of 18 reference resolution

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Source: paper_references, paper_reference_links, observed 2026-08-12T17:28:07.312998Z

measured 19 of 19 standing notices

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Source: scholarly_work_events, retraction_status_cache, observed 2026-08-20T06:33:59.587034+00:00

measured 1 of 1 inbound itemization

Pith citing papers itemized under the disclosed page cap.

Source: paper_references, paper_reference_links, observed 2026-08-12T17:28:07.197329Z

measured 0 of 1 external citation measurements

A source-named dated measurement, never combined with another source.

Source: pith, observed 2026-08-12T17:28:07.391651Z

Reference resolution

18 of 18 outbound references displayed

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  • verified fuzzy13
  • unresolved3
  • parse uncertain0
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  • metadata mismatch1

External citation measurements

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Outbound references

Observation a0eaaed6-3aa4-46c7-8995-a5b284717485 · outbound

This paper cites When Theory Meets Experiment: What Does it Take to Accurately Predict $^1$H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory?.

When Theory Meets Experiment: What Does it Take to Accurately Predict $^1$H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory? When Theory Meets Experiment: What Does it Take to Accurately Predict $^1$H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory?

Reference 1

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local_arxiv, observed 2026-08-12T17:28:07.398516Z

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No event found in the named queried sources as of 2026-08-20T06:33:59.587034+00:00.

source=pdf_text observed=2026-08-12T17:28:07.197329Z digest=sha256:3f9036493058c1eb828b22aa3376b074bc3bea339684760672f17f0471e1c913

Observation b6af5b63-caa0-4890-816c-5dc1a1734c8c · outbound

This paper cites distance of closest approach.

When Theory Meets Experiment: What Does it Take to Accurately Predict $^1$H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory? distance of closest approach

Reference 2

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source=pdf_text observed=2026-08-12T17:28:07.203850Z digest=sha256:8b718ea7969708973230bc70e9df3749e260b0bef6564ee21a2bef49ee50458f

Observation eb302c32-57ae-4e12-9cfe-ff192e63148d · outbound

This paper cites The corresponding reorientational correlation times are: τ HH 2 = (2.16±0.02) ps (CCMD H2O), τ HH 2 = (2.48± 0.01) ps (TIP4P/2005), and τ DD 2 = (2.80 ± 0.04) ps (CCMD D2O).

When Theory Meets Experiment: What Does it Take to Accurately Predict $^1$H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory? The corresponding reorientational correlation times are: τ HH 2 = (2.16±0.02) ps (CCMD H2O), τ HH 2 = (2.48± 0.01) ps (TIP4P/2005), and τ DD 2 = (2.80 ± 0.04) ps (CCMD D2O)

Reference 3

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No event found in the named queried sources as of 2026-08-20T06:33:59.587034+00:00.

source=pdf_text observed=2026-08-12T17:28:07.235434Z digest=sha256:cce1c293a2faf83bda5b76324c552fec982cf81d2facad0e0b03932529039e5c

Observation 9d9c3517-2669-4ca5-ace6-3acb6824db3d · outbound

This paper cites Intermolec- ular dynamics from classical MD simulations of TIP4P/2005 water.

When Theory Meets Experiment: What Does it Take to Accurately Predict $^1$H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory? Intermolec- ular dynamics from classical MD simulations of TIP4P/2005 water

Reference 4

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source=pdf_text observed=2026-08-12T17:28:07.241372Z digest=sha256:e2772c8ba8dbc6f89f453d2d942dd8180c7782f4b105f42b1045cf6c458c3930

Observation 8a2b089c-172b-416c-b63e-3b2c83b5ed13 · outbound

This paper cites 30,31 as a function of the inverse box length L−1, analogous to the scaling of the translational diffusion coefficient suggested by Yeh and Hummer.

When Theory Meets Experiment: What Does it Take to Accurately Predict $^1$H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory? 30,31 as a function of the inverse box length L−1, analogous to the scaling of the translational diffusion coefficient suggested by Yeh and Hummer

Reference 5

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source=pdf_text observed=2026-08-12T17:28:07.246656Z digest=sha256:4bffce590ee62a8862834e20dc627d8a9bf54d6093686172612b28dcfca5e8d2

Observation 6f4c4bf4-91c6-4d17-9e21-57d43b00eacd · outbound

This paper cites The average intramolecular H-H distance is obtained to be ⟨r−3 HH⟩−1/3 = 154.1 pm.

When Theory Meets Experiment: What Does it Take to Accurately Predict $^1$H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory? The average intramolecular H-H distance is obtained to be ⟨r−3 HH⟩−1/3 = 154.1 pm

Reference 6

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source=pdf_text observed=2026-08-12T17:28:07.228450Z digest=sha256:704816e33f1673feb75c2f435ac51f6d8605823a288055eafb81d2689e7041c4

Observation 0530b8c8-2374-4f1d-bb1c-316481a74a94 · outbound

This paper cites an unresolved cited work.

When Theory Meets Experiment: What Does it Take to Accurately Predict $^1$H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory? Unresolved cited work

Reference 7

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source=pdf_text observed=2026-08-12T17:28:07.271007Z digest=sha256:9137bd49b68083d707c7a957f328c9cb312baa4222f5b3300951c94af39fa358

Observation b7941b35-0c43-40f1-8c1f-f127276772ac · outbound

This paper cites with ∆J n inter(ω) ≈ ttrZ 0 ∆Gn inter(t) cos(ωt) dt.

When Theory Meets Experiment: What Does it Take to Accurately Predict $^1$H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory? with ∆J n inter(ω) ≈ ttrZ 0 ∆Gn inter(t) cos(ωt) dt

Reference 8

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source=pdf_text observed=2026-08-12T17:28:07.276246Z digest=sha256:7a076e70a98cf674cbbed1c43c3f8b43811cbacbbafe4774062986f8d065efbe

Observation 896a27bd-ab23-4079-b8a4-6c5d5d9168e8 · outbound

This paper cites break- down.

When Theory Meets Experiment: What Does it Take to Accurately Predict $^1$H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory? break- down

Reference 10

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source=pdf_text observed=2026-08-12T17:28:07.252556Z digest=sha256:452774d8e1c79bd1702cb2d7c80a779413c53ab5a35fb4353c5c0fdfb2027d01

Observation 1e69396a-7201-4b14-ba41-20a961ef6f5c · outbound

This paper cites a) A comparison of the radial distribution functions obtained for the TIP4P/2005 model 30,31 and from neutron scattering data according to Soper.

When Theory Meets Experiment: What Does it Take to Accurately Predict $^1$H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory? a) A comparison of the radial distribution functions obtained for the TIP4P/2005 model 30,31 and from neutron scattering data according to Soper

Reference 11

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source=pdf_text observed=2026-08-12T17:28:07.260273Z digest=sha256:2c13fe92a8b436bac8ff590689f0364532942564f4fd82ccc5bee39fb2ca919a

Observation 5f377339-beee-4f17-8f59-c6a5113f0780 · outbound

This paper cites 6a, leading to dHH = 188.30 pm, and the CCMD dataset for H2O shown in FIG.

When Theory Meets Experiment: What Does it Take to Accurately Predict $^1$H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory? 6a, leading to dHH = 188.30 pm, and the CCMD dataset for H2O shown in FIG

Reference 14

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source=pdf_text observed=2026-08-12T17:28:07.281854Z digest=sha256:2508362eb5a06c89524b4c5204c990a7f293bf1c623729ad0d8478b72668e622

Observation 3e6e5c89-f1ba-4b97-91bd-c696dd606ccc · outbound

This paper cites This is, however, not the case for the CCMD simulations, where no constraints with respect to bond distances and bond angles exist.

When Theory Meets Experiment: What Does it Take to Accurately Predict $^1$H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory? This is, however, not the case for the CCMD simulations, where no constraints with respect to bond distances and bond angles exist

Reference 15

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source=pdf_text observed=2026-08-12T17:28:07.222775Z digest=sha256:97ad29a21e961f595c47a5f23c3a7c0d57f3e3c928fe5c514bb4f0ef7f528cd1

Observation d54289c5-06b7-4e27-9a0f-04adb390b276 · outbound

This paper cites an unresolved cited work.

When Theory Meets Experiment: What Does it Take to Accurately Predict $^1$H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory? Unresolved cited work

Reference 17

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source=pdf_text observed=2026-08-12T17:28:07.209212Z digest=sha256:5cc4b8532745eab9622bd7170f40f50d8afaf4e6e97641ff65b455af546b9658

Observation 20847723-3241-4d02-91ca-5d616804d6ac · outbound

This paper cites MDorado” which is available via GitHub (github.com/Paschek-Lab/MDorado). Our open source software “FreeDRelax.

When Theory Meets Experiment: What Does it Take to Accurately Predict $^1$H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory? MDorado” which is available via GitHub (github.com/Paschek-Lab/MDorado). Our open source software “FreeDRelax

Reference 21

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source=pdf_text observed=2026-08-12T17:28:07.216934Z digest=sha256:e96746979e5df8dff6c593563764d22c04990ca3114ff71b4b7fc1b749866417

Observation 27385187-55e4-4848-b599-244dbe20660c · outbound

This paper cites an unresolved cited work.

When Theory Meets Experiment: What Does it Take to Accurately Predict $^1$H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory? Unresolved cited work

Reference 23

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source=pdf_text observed=2026-08-12T17:28:07.265692Z digest=sha256:4b90eb1e1b0c50466106479ccb0b4387af87c4c489fe0695367746fea201f4ac

Observation 7a904325-2231-4c71-b968-44c5b21da567 · outbound

This paper cites Proton spin-lattice relaxation in pure water be- tween 0◦C and 110 ◦C,.

When Theory Meets Experiment: What Does it Take to Accurately Predict $^1$H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory? Proton spin-lattice relaxation in pure water be- tween 0◦C and 110 ◦C,

Reference 30

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source=pdf_text observed=2026-08-12T17:28:07.288773Z digest=sha256:779e1db30ffcc78748831fbe36fa9d875f35562bd472f7a079f25028e18aaa44

Observation d95bc71a-aa79-49b3-bdfa-c3149d290104 · outbound

This paper cites Nuclear Quantum Effects in Liquid Water Are Negligible for Structure but Significant for Dynamics.

When Theory Meets Experiment: What Does it Take to Accurately Predict $^1$H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory? Nuclear Quantum Effects in Liquid Water Are Negligible for Structure but Significant for Dynamics

Reference 2013

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source=pdf_text observed=2026-08-12T17:28:07.297475Z digest=sha256:fe2bc1e5da291f7ed33d70378f9742cdff47f2b2639958401a5ed866b9eb99b0

Observation 775d6cb8-d3fe-4269-ae86-f23c172a8062 · outbound

This paper cites NMR 1H-1H dipole relaxation in fluids: Relaxation of individual 1H-1H pairs versus relaxation of molecular modes,.

When Theory Meets Experiment: What Does it Take to Accurately Predict $^1$H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory? NMR 1H-1H dipole relaxation in fluids: Relaxation of individual 1H-1H pairs versus relaxation of molecular modes,

Reference 2019

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source=pdf_text observed=2026-08-12T17:28:07.312998Z digest=sha256:90605ed8bcfced712fe80b0552d9ea9006922824144759f8839239733501dbd8

Pith citing papers

Observation a0eaaed6-3aa4-46c7-8995-a5b284717485 · inbound

When Theory Meets Experiment: What Does it Take to Accurately Predict $^1$H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory? cites this paper.

When Theory Meets Experiment: What Does it Take to Accurately Predict $^1$H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory? When Theory Meets Experiment: What Does it Take to Accurately Predict $^1$H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory?

Reference 1

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local_arxiv, observed 2026-08-12T17:28:07.398516Z

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No event found in the named queried sources as of 2026-08-20T06:33:59.587034+00:00.

source=pdf_text observed=2026-08-12T17:28:07.197329Z digest=sha256:3f9036493058c1eb828b22aa3376b074bc3bea339684760672f17f0471e1c913