Typed states for the displayed outbound observations.
Source: paper_references, paper_reference_links, observed 2026-08-03T12:05:07.888861Z
Paper Citation Record · LEDGER
As of 7 August 2026, this Paper Citation Record lists 100 of 102 outbound references and 12 inbound Pith citation observations for arXiv:2601.04621.
A citation records a reference. It does not transfer a finding from one paper to another.
Typed states for the displayed outbound observations.
Source: paper_references, paper_reference_links, observed 2026-08-03T12:05:07.888861Z
One-hop event checks from named stored sources.
Source: scholarly_work_events, retraction_status_cache, observed 2026-08-06T06:34:29.942622+00:00
Pith citing papers itemized under the disclosed page cap.
Source: paper_references, paper_reference_links, observed 2026-08-02T10:52:32.711105Z
A source-named dated measurement, never combined with another source.
Source: pith, observed 2026-08-05T02:28:24.338817Z
100 of 102 outbound references displayed
External citation measurements
0
pith, observed 2026-08-05T02:28:24.338817Z
Observation bbaa8f5b-930b-4921-93dd-f07afe8c5ffc · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Iron-sulfur clusters: nature’s modular, multipurpose structures.Science, 277(5326):653–659, 1997
Reference 1
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Observation 6e3e1508-3b3e-4f23-8169-aee287f82d71 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Metal–sulfur compounds inN 2 reduction and nitrogenase-related chem- istry.Chemical Reviews, 120(12):5194–5251, 2020
Reference 2
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Observation a71798b4-2735-4020-ba35-e3dd1f73a5b4 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Crystallographic structure and functional implications of the nitrogenase molybdenum–iron protein from azotobacter vinelandii.Nature, 360(6404):553–560, 1992
Reference 3
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Observation 364bd54f-86f7-41ca-9ab9-93c5c7f67b63 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Nitrogenase mofe-protein at 1.16 ˚a resolution: a central ligand in theFeMo-cofactor.Science, 297(5587):1696–1700, 2002
Reference 4
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Observation ef236c0c-4bce-4b34-95f0-a1661ff4f34d · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications The interstitial atom of the nitrogenaseFeMo-cofactor: Endor and eseem show it is not an exchangeable nitrogen.Journal of the American Chemical Society, 125(19):5604–5605, 2003
Reference 5
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Observation 77248fa4-271c-43b4-987d-2d7772c86c6c · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Evidence for interstitial carbon in nitrogenaseFeMocofactor.Science, 334 (6058):940–940, 2011
Reference 6
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Observation d6650e11-cb47-4f1f-bebb-9b09db1a5015 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications X-ray emission spectroscopy evidences a central carbon in the nitrogenase iron-molybdenum cofactor.Science, 334(6058):974–977, 2011
Reference 7
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Observation 554b5a71-5770-4ed4-8a7a-0a879ed1fa93 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Elucidating reaction mechanisms on quantum computers.Proceedings of the National Academy of Sciences, 114(29):7555–7560, 2017
Reference 8
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Observation 9c40c015-3007-4df9-a0f4-e289479f7ec3 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications The electronic complexity of the ground-state of theFeMocofactor of nitrogenase as relevant to quantum simulations.The Journal of Chemical Physics, 150(2):024302, 2019
Reference 9
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Observation f4e7fe19-5b43-4a2b-8326-1f0e5e23bfde · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Randomized quantum algorithm for statistical phase estima- tion.Physical Review Letters, 129(3):030503, 2022
Reference 10
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Observation 12ea2384-92eb-42f1-906c-8112f8fad5ed · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Qubitization of arbitrary basis quantum chemistry leveraging sparsity and low rank factorization.Quantum, 3:208, 2019
Reference 11
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Observation feb02326-e497-48ba-95a6-3199a3f9abe1 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Efficient simulation of quantum chemistry problems in an enlarged basis set
Reference 12
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Observation 9e0da9b8-b1d6-4514-9a1b-55d12ed89043 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Fast quantum simulation of electronic structure by spectrum amplification.arXiv preprint arXiv:2502.15882, 2025
Reference 13
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Observation 44d222eb-a9f0-48ad-b2c5-d064201222e1 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications The spectroscopy of nitrogenases.Chemical Reviews, 120(12):5005–5081, 2020
Reference 14
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Observation 00fbca66-743b-4499-99f7-4a4a77e0829b · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Nitrogenase
Reference 15
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Observation fd5d6902-bbb2-4741-8b57-e31a3c66b309 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Entanglement-minimized orbitals enable faster quantum simulation of molecules.Physical Review Letters, 135:210601, 2025
Reference 16
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Observation be5bb779-656b-4814-8d52-f9d059b09794 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Revisiting the m ¨ossbauer isomer shifts of the femoco cluster of nitrogenase and the cofactor charge.Inorganic Chemistry, 56(3):1470–1477, 2017
Reference 17
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Observation 19ef2cb4-13ee-42aa-86b4-2a765d54bc1a · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Identification of a spin-coupledMo(III)in the nitrogenase iron–molybdenum cofactor.Chemical Science, 5(8):3096–3103, 2014
Reference 18
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Observation 8e2c4d0d-855e-4154-badb-fa2d92879d10 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Unresolved cited work
Reference 19
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Observation db5af0c2-a58b-4a23-9c2a-da5b04e86850 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications High-temperature expansions-the classical heisenberg model.Physical Review Letters, 16(22):981, 1966
Reference 20
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Observation e13df220-1494-4bdc-9a8a-3639bc0c5d44 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Metal substitution in the active site of nitrogenase mfe7s9 (m= mo4+, v3+, fe3+).Inorganic Chemistry, 41(22): 5744–5753, 2002
Reference 21
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Observation 9abcd619-eeff-4bca-9272-e48537b31783 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Influence of the protein and dft method on the broken-symmetry and spin states in nitrogenase.International Journal of Quantum Chemistry, 118(15):e25627, 2018
Reference 22
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Observation 85a9d9f2-3e93-440c-92a2-4d09e1365f8e · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Spin-projected matrix product states: Versatile tool for strongly corre- lated systems.Journal of Chemical Theory and Computation, 13(6):2681–2695, 2017
Reference 23
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Observation b527d6f9-40e9-4b7c-a168-46b9e97c0bd6 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Electronic landscape of the p-cluster of nitrogenase as revealed through many-electron quantum wavefunction simulations.Nature Chemistry, 11(11): 1026–1033, 2019
Reference 24
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Observation e895b0bd-2927-4845-8e6c-05b4034beb25 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Evaluating the evidence for exponen- tial quantum advantage in ground-state quantum chemistry.Nature Communications, 14(1):1952, 2023
Reference 25
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Observation 40b5dc04-e3ed-4d47-98ca-e6aab6f9516a · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Unresolved cited work
Reference 26
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Observation 8d456644-2c5f-4d24-832b-9ee4c8e3aff9 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Extremely large differences in dft energies for nitrogenase models.Physical Chemistry Chemical Physics, 21(5):2480–2488, 2019
Reference 27
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Observation 26e9a16d-9511-43a5-9cc2-3052ff074b15 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Unresolved cited work
Reference 28
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Observation e649f366-6aeb-48ba-a607-20699b8556d9 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Connecting the geometric and electronic structures of the nitrogenase iron–molybdenum cofactor through site- selective 57Felabelling.Nature Chemistry, 15(5):658–665, 2023
Reference 29
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Observation 5f9e8dd1-77fb-483a-8762-c35fc23ef894 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Unresolved cited work
Reference 30
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Observation b0e8e3c8-69bb-4d7f-8b50-4662ac4776d9 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Nitrogenase femoco investigated by spatially resolved anomalous dispersion refinement.Nature Communications, 7(1):10902, 2016
Reference 31
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Observation 18810ba2-9ccf-4d64-8fab-ac707953055c · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Low-energy spectrum of iron–sulfur clusters directly from many-particle quantum mechanics.Nature Chemistry, 6(10):927–933, 2014
Reference 32
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Observation 20206165-b693-4362-bc4e-f0e5ee281664 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Strong electron correlation in nitrogenase cofactor, femoco.The Journal of Physical Chemistry A, 122(22):4988–4996, 2018
Reference 33
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Observation cf281f88-56a7-45f8-aa80-bcd3036918b2 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Expressibility of comb tensor network states (ctns) for the p-cluster and the femo-cofactor of nitrogenase.Electronic Structure, 3(1):014001, 2021
Reference 34
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Observation 6f945d2d-e9b9-4116-bce5-a5adf0078b92 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Unresolved cited work
Reference 35
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Observation a9285f0d-559c-4e4b-8482-adf2249b0124 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Massively parallel quantum chemical density matrix renormalization group method.Journal of Computational Chemistry, 42(8): 534–544, 2021
Reference 36
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Observation 53e25c1d-b7ea-4480-b539-b462e82c0a58 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Unresolved cited work
Reference 37
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Observation 531a8e26-ff38-4e9b-a77c-82e138a04853 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Density matrix formulation for quantum renormalization groups.Physical Review Letters, 69 (19):2863, 1992
Reference 38
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Observation 9879f6ed-21f5-4b35-8a50-3e94ecc065dd · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Density-matrix algorithms for quantum renormalization groups.Physical Review B, 48(14): 10345, 1993
Reference 39
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Observation e5de593d-d762-47f2-baf1-d708da49b64c · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Highly correlated calculations with a polynomial cost al- gorithm: A study of the density matrix renormalization group.The Journal of Chemical Physics, 116(11): 4462–4476, 2002
Reference 40
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Observation ef3c5f66-1413-47d1-bfd0-860eccf677b9 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Quantum chemistry using the density matrix renormalization group.The Journal of Chemical Physics, 115(15):6815– 6821, 2001
Reference 41
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Observation 9a365186-ea63-40e6-8e11-e836676b16a9 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications The density matrix renormalization group for ab initio quantum chemistry.The European Physical Journal D, 68(9):272, 2014
Reference 42
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Observation a25a09ef-f96d-4c82-8f9a-7bd6a231f084 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications An efficient matrix product operator representation of the quantum chemical hamiltonian.The Journal of Chemical Physics, 143(24):244118, 2015
Reference 43
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Observation bd29cdab-6809-4660-b188-6f308d275a43 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications The density matrix renormalization group in chemistry and molecular physics: Recent developments and new challenges.The Journal of Chemical Physics, 152(4):040903, 2020
Reference 44
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Observation 9c9f7ea7-8041-408a-b80d-81777bfc9763 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Density matrix renormalization group, 30 years on.Nature Reviews Physics, 5(5):273–276, 2023
Reference 45
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Observation fb196c82-fb5c-4ac3-82ef-b919a006aa20 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Coupled-cluster theory in quantum chemistry.Reviews of Modern Physics, 79(1):291, 2007
Reference 46
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Observation 01cb283a-be8b-4092-b57a-d7f41353ec59 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Cambridge university press, 2009
Reference 47
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Observation 5fc1fc30-3d97-46b6-a1a7-df207762e6e3 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Long-range order,“tower” of states, and symmetry breaking in lattice quantum systems.Journal of Statistical Physics, 174(4):735–761, 2019
Reference 48
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Observation 00bf2ae5-8615-47ad-9f33-c9ff4addc9ea · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Orbital interactions, electron delocalization and spin coupling in iron-sulfur clusters.Coordination Chemistry Reviews, 144:199–244, 1995
Reference 49
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Observation 6e729f1c-0281-49c0-9ed4-67efab06e462 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Unresolved cited work
Reference 50
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Observation a05c7671-3b9d-4ed0-bb16-15f62dfffd4d · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Accurate qm/mm molecular dynamics for periodic systems in gpu4pyscf with applications to enzyme catalysis.Journal of Chemical Theory and Computation, 21(2):803– 816, 2025
Reference 51
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Observation 9fd8c347-2a55-45c5-918c-697caf61d39b · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Theoretical models incorporating electron correlation
Reference 52
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Observation aed3930b-1bcb-44ad-9044-c1e71ce207f6 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Unresolved cited work
Reference 53
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Observation 7810bdaa-d66c-4fc0-b6df-0bdc7e275416 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Predictive free energy simulations through hierarchical distillation of quantum hamiltonians.arXiv preprint arXiv:2509.10967, 2025
Reference 54
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Observation 29793462-d592-46ce-bbc9-eac394bea88c · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Low communication high performance ab initio density matrix renormalization group algorithms.The Journal of Chemical Physics, 154(22):224116, 2021
Reference 55
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Observation 71946694-829b-46d2-9d9b-cbe625a01220 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Unresolved cited work
Reference 56
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Observation 7877eac0-9b6c-4f6a-9f7c-2f2662738030 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Recent developments in the pyscf program package.The Journal of Chemical Physics, 153(2):024109, 2020
Reference 57
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Observation c29c743b-472c-443c-ad24-5426c6f4443c · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Spin-adapted density matrix renormalization group algorithms for quantum chemistry.The Journal of Chemical Physics, 136:124121, 2012
Reference 58
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Observation 46511a49-27a2-4bc9-be22-436c33e3584a · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Openmm 8: molecular dynamics simulation with machine learning potentials.The Journal of Physical Chemistry B, 128(1):109–116, 2023
Reference 59
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Observation ea6c6658-5934-4776-ae5a-1643444349bd · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Unresolved cited work
Reference 60
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Observation c443362f-f559-4b06-ad8c-e8f1ad5b5bd6 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Ash: a python-based multiscale modelling program
Reference 61
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Observation 2ef63b80-45e9-4527-8f52-355a16d5fc56 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Uff, a full periodic table force field for molecular mechanics and molecular dynamics simulations.Journal of the American chemical society, 114(25):10024–10035, 1992
Reference 62
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Observation f39354d8-a35e-4ff4-8153-e281fe800332 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications ff14sb: improving the accuracy of protein side chain and backbone parameters from ff99sb
Reference 63
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Observation 407054e5-e16f-4075-ac98-2e2689b7e96a · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Building force fields: An automatic, systematic, and reproducible approach.The Journal of Physical Chemistry Letters, 5(11):1885–1891, 2014
Reference 64
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Observation e938a801-7f09-4ea5-a06e-28f4c2840d83 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Exact and optimal quantum mechanics/molecular mechanics boundaries
Reference 65
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Observation 90cfec93-afcb-463f-983c-b75e2f86b9a3 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Electronic structure of theMoFe 3S4(SH)3− 6 ion: A broken-symmetry metal–sulfur cluster.The Journal of Chemical Physics, 83(12):6344–6366, 1985
Reference 66
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Observation 62733522-9cc6-42d4-98a4-11ba4958ac0e · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Structure and electrochemistry of proteins harboring iron-sulfur clusters of different nuclearities
Reference 67
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Observation 8bd6f1bd-b4de-4531-8ea3-903ebf5535de · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Purification, composition, charge, and molecular weight of the femo cofactor from azotobacter vinelandii nitrogenase.Journal of Inorganic Biochemistry, 52(1):59–75, 1993
Reference 68
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Observation b27f002d-f1a2-4532-a236-f43a9364f50c · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Quantum mechanical calculations of redox potentials of the metal clusters in nitrogenase.Molecules, 28(1):65, 2022
Reference 69
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Observation 87388382-5e4c-45ad-97f5-4a235d730a39 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Bond-valence analyses of the crystal structures ofFeMo/V cofactors inFeMo/Vproteins.Biological Crystallography, 76(5):428–437, 2020
Reference 70
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Observation a1398a49-0244-463c-80a3-186c2888530c · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Computational investigations of the chemical mechanism of the enzyme nitrogenase.Chem- BioChem, 21(12):1671–1709, 2020
Reference 71
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Observation a10d708e-3f0b-499b-a6ed-bd7ce4062356 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Unresolved cited work
Reference 72
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Observation 99f98139-cb50-4b7f-838b-b57dce0ac92f · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Unresolved cited work
Reference 73
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Observation 42f8707e-d6e3-40ef-b526-6eeed0f519f7 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Comparison of the accuracy of dft methods for reactions with relevance to nitrogenase.Electronic Structure, 3(3):034005, 2021
Reference 74
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Observation 21ea873a-605f-4b8f-ae0e-dac1bd41e3d1 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Unresolved cited work
Reference 75
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Observation 2c25b4c2-50c8-4451-9704-021889ceee6e · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Theoretical study of local environmental effect on electronic structure of m-cluster.European Journal of Inorganic Chemistry, 28(15): e202500016, 2025
Reference 76
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Observation 0d135b8f-f57a-47f8-8838-40a5a05b824e · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Structural correlations of nitrogenase active sites using nuclear resonance vibrational spectroscopy and qm/mm calculations.Faraday Discussions, 243:253–269, 2023
Reference 77
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Observation ebbd4e57-d39b-4cca-a381-ffe876adc3db · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithms.The Journal of Chemical Physics, 145(1):014102, 2016
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Observation e40132a1-0d5f-4be1-8073-3c575f245bf1 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Unresolved cited work
Reference 79
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Observation afe0a3fd-6fde-4086-8e5d-83dd696eb6db · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications The ab-initio density matrix renormalization group in practice.The Journal of Chemical Physics, 142(3): 034102, 2015
Reference 80
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Observation 985fe057-9b23-4da0-8a3c-b18c2d48302c · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Pyscf: the python-based simulations of chemistry framework.Wiley Interdisciplinary Reviews: Computational Molecular Science, 8(1):e1340, 2018
Reference 81
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Observation 70da487b-f761-4acb-af5c-a196e842469b · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Accuracy of the density-matrix renormalization-group method.Physical Review B, 53(21):14349, 1996
Reference 82
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Observation ea43d8e2-46b4-4a26-9fa1-c4c9e8b7e6c0 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Universal asymptotic eigenvalue distribution of density matrices and corner transfer matrices in the thermodynamic limit.Physical Review E, 59(6):R6227, 1999
Reference 83
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Observation dab46588-350a-4544-a0e7-d3b98c6b7bec · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications On the distribution of eigenvalues of grand canonical density matrices.Journal of statistical physics, 109(1):289–299, 2002
Reference 84
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Observation ca5db1c5-61c6-4224-8fef-0c9e09640bf5 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Rapid initial-state preparation for the quantum simulation of strongly correlated molecules.PRX Quantum, 6(2):020327, 2025
Reference 85
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Observation 39abb0f9-2c42-41fa-b35c-eecb9dce0e20 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Theoretical prediction 26 of magnetic exchange coupling constants from broken-symmetry coupled cluster calculations.The Journal of Chemical Physics, 152(23), 2020
Reference 86
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Observation 681a9cc7-680e-40bf-9470-0e66dadccfa4 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Multireference protonation energetics of a dimeric model of nitrogenase iron–sulfur clusters.The Journal of Physical Chemistry A, 127(47):9974–9984, 2023
Reference 87
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Observation 15202472-dafd-4c81-afe1-14d1dfc8f9d6 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Unresolved cited work
Reference 88
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Observation e790aad3-e007-4282-94bd-8430927beb91 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Density-functional exchange-energy approximation with correct asymptotic behavior.Physical Review A, 38(6):3098, 1988
Reference 89
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Observation 4ff1629e-3e12-4d2e-8b1f-3b74ea305357 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Development of the colle-salvetti correlation-energy formula into a functional of the electron density.Physical Review B, 37(2):785, 1988
Reference 90
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Observation af150db2-7197-4392-a579-c3e032db01cb · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications A new mixing of hartree–fock and local density-functional theories.The Journal of Chemical Physics, 98(2):1372–1377, 1993
Reference 91
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Observation 71400a0d-956e-404c-b361-883bcec7f367 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Unresolved cited work
Reference 92
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Observation 1cbef44b-c45e-4b23-a346-e2ee27d49c79 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Unresolved cited work
Reference 93
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Observation 006f28b3-3372-4cf8-b9c4-c0cb075d984b · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Domain decomposition for implicit solvation models.The Journal of Chemical Physics, 139:054111, 2013
Reference 94
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Observation 8502c470-1347-4a84-adaa-0e8f1b486e47 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Fast domain decom- position algorithm for continuum solvation models: Energy and first derivatives.Journal of Chemical Theory and Computation, 9:3637–3648, 2013
Reference 95
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Observation 504e79da-047c-44a3-8675-501e77f41469 · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Unresolved cited work
Reference 96
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Observation 55f567bf-3b54-4cdb-be90-5f7463817a0b · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Compressed representation of kohn–sham orbitals via selected columns of the density matrix.Journal of Chemical Theory and Computation, 11(4):1463–1469, 2015
Reference 97
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Observation 85ba77e5-860c-4a5d-b8b8-be63e79f272b · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Note on an approximation treatment for many-electron systems.Physical Review, 46(7):618, 1934
Reference 98
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Observation aa14367f-9fb0-4948-8218-c89f8a0a4f0a · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Molecular single-bond covalent radii for elements 1–118.Chemistry–A European Journal, 15(1):186–197, 2009
Reference 99
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Observation 0efa8a58-b72a-4ddf-9ec9-f4b30b2213af · outbound
Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides.Foundations of Crystallography, 32(5):751–767, 1976
Reference 100
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Observation aa0a082f-5b88-42f8-aa8b-3dcf0de63f24 · inbound
Dynamical Simulations of Schr\"odinger's Equation via Rank-Adaptive Tensor Decompositions Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications
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Observation 76bd1afd-af4a-448d-b5ae-f87b58880769 · inbound
Spin-adapted neural network backflow for symmetry-preserving simulations of strongly correlated electrons Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications
Reference 33
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Observation f55ab0fe-40c9-4b82-abed-8bab091bf00e · inbound
Can phaseless auxiliary-field quantum Monte Carlo with broken symmetry trials describe iron-sulfur clusters? Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications
Reference 15
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Observation 62552b30-7d1e-44a8-8bdc-8dbe6aa0c142 · inbound
Real-time Krylov Diagonalisation for Open Quantum Systems Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications
Reference 13
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Observation 19569cfd-88e0-493c-a5db-1a5213661c07 · inbound
Selecting optimal unrestricted Hartree-Fock trial wavefunctions for phaseless auxiliary-field quantum Monte Carlo: Accuracy and limitations in modeling three iron-sulfur clusters Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications
Reference 60
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Observation 50deaf29-a0a3-427f-9229-aa0b842f3e19 · inbound
Absorbing Many-Body Correlations into Core-Optimized Orbitals Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications
Reference 128
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Observation 5ed82fc1-e906-4311-9192-02d37356c23d · inbound
Faster matrix product state preparation by exploiting symmetry-induced block-sparsity Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications
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Observation bb5ebdff-524d-481c-aced-fd5cdd9efd57 · inbound
Quantum-Accelerated Self-Consistent Field: A Hybrid Algorithm Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications
Reference 27
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Observation b3ce69ce-7a8c-4748-aee2-f1299348a9c8 · inbound
Quantum-Accelerated Self-Consistent Field: A Hybrid Algorithm Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications
Reference 27
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Observation e2023bbb-b6bf-45d4-a869-452b284112e1 · inbound
Distribution Complexity of Electronic Structure Simulations on Quantum Supercomputers Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications
Reference 156
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Observation 26b0ef26-ee55-4c46-b687-a66d4df87302 · inbound
An Iterative Dual-Channel Neural Quantum State Algorithm for Selected Configuration Interaction Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications
Reference 56
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Observation d8588c00-1988-44d4-b042-ae4dd054d65f · inbound
High-performance parallel implementation of high-order coupled-cluster theories Classical computational simulation of the FeMo-cofactor model to chemical accuracy and its implications
Reference 37
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