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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 17 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 2026-08-16T06:30:59.297886+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 2026-08-16T06:30:59.297886+00:00.

source=pdf_text observed=2026-08-12T17:28:07.197329Z digest=sha256:ce7e35ff5a766396b8188b2ec9aaff369ddf0c40ab94709c878fb62af1e9e02c

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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raw_fallback, observed 2026-08-12T17:28:07.682576Z

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source=pdf_text observed=2026-08-12T17:28:07.203850Z digest=sha256:9eea255f7af5cda141ab4b031157e0c9176839039c93b34f8fc7153cd501de14

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 2026-08-16T06:30:59.297886+00:00.

source=pdf_text observed=2026-08-12T17:28:07.235434Z digest=sha256:63e24ed465beb7d0d6f53dbc27b95512998dd347aa5607ae8f47f383d60b9dcc

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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raw_fallback, observed 2026-08-12T17:28:07.580478Z

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source=pdf_text observed=2026-08-12T17:28:07.241372Z digest=sha256:a35869e46a9a35b4b3ee88e1e789668fa26254542355cedf70b7a6d36115fb90

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:acc3a6d906789de63dea37f522d1d5e548b8051992bc8d9b15cc0d1cfb1cc98f

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=sha256:5c92b9d0c698ef234f4517abd3795ea27b9f686d63a1262ff93a3a7008ef3c67

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=sha256:00a101f65f96ca9eb4d809dc7041d3494db06d4ed08c3da12215a3341c99d1bc

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=sha256:10cfb8f875ad16505a643ec55ead8f4e45dc63b90ebbbe22418462c08f0870c7

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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No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

source=pdf_text observed=2026-08-12T17:28:07.252556Z digest=sha256:05d753af18734f2b53357c7674c624d336b3fd7c5b51bbe01ca126d66646ec84

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:a0ac009fb3a2327be35ca7c74095eff3782ba75e191d8241d64307bb372452a2

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=sha256:99d7cc72aa65d49965ac0c5f72936e390114674da72cc0ce641ba87bf63a11fa

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:c4620f452eaa4504a01f95e7c56e18259081fae6a049d59ce5608b8ed27842f7

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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No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

source=pdf_text observed=2026-08-12T17:28:07.209212Z digest=sha256:3e77bf628ae38f871ff869a8ab1710cc83ad8f9580732be92466c4b508d24885

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=sha256:5408f62ad00a5fc9dfedb3c83a1426797d0f97887d8c2abc268d0e8d68655513

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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No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

source=pdf_text observed=2026-08-12T17:28:07.265692Z digest=sha256:963600ae2783982c3319a8faffbdfc18bb61c992981fc7253ccf9b79701c2aee

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=sha256:66f8bcdc24ed8d6af09458d73e173daf101ca3a74fb4134d8f58a2716640699c

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=sha256:43d66ad0488b3d68096ff5f8326c1f6e87fa011a54d58b079afe00c3a2bad9e8

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:c45fe53ea248d8b605adeabe9bc969e5003f16b5f9673a0e79268b4288e4e313

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

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

source=pdf_text observed=2026-08-12T17:28:07.197329Z digest=sha256:ce7e35ff5a766396b8188b2ec9aaff369ddf0c40ab94709c878fb62af1e9e02c