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Electric Field Dependence of the Exchange-Correlation Potential in Molecular Chains

Physical review letters, 1999-07, Vol.83 (4), p.694-697

1999

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Comparison of the Accurate Kohn−Sham Solution with the Generalized Gradient Approximations (GGAs) for the SN2 Reaction F- + CH3F → FCH3 + F-: A Qualitative Rule To Predict Success or Failure of GGAs

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2000-09, Vol.104 (37), p.8558-8565

2000

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Molecular calculations of excitation energies and (hyper)polarizabilities with a statistical average of orbital model exchange-correlation potentials

The Journal of chemical physics, 2000-01, Vol.112 (3), p.1344-1352

2000

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Exchange and correlation energy in density functional theory: Comparison of accurate density functional theory quantities with traditional Hartree–Fock based ones and generalized gradient approximations for the molecules Li2, N2, F2

The Journal of chemical physics, 1997-10, Vol.107 (13), p.5007-5015

1997

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Benchmark calculations of chemical reactions in density functional theory: Comparison of the accurate Kohn–Sham solution with generalized gradient approximations for the H2+H and H2+H2 reactions

The Journal of chemical physics, 1999-09, Vol.111 (9), p.4056-4067

1999

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Ensuring proper short-range and asymptotic behavior of the exchange-correlation Kohn-Sham potential by modeling with a statistical average of different orbital model potentials

International journal of quantum chemistry, 2000, Vol.76 (3), p.407-419

2000

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Kohn-Sham potentials corresponding to Slater and Gaussian basis set densities

Theoretical chemistry accounts, 1997-10, Vol.98 (1), p.16-24

1997

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Density-functional-theory response-property calculations with accurate exchange-correlation potentials

Physical review. A, Atomic, molecular, and optical physics, 1998-04, Vol.57 (4), p.2556-2571

1998

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Comparison of the Accurate Kohn−Sham Solution with the Generalized Gradient Approximations (GGAs) for the S N 2 Reaction F - + CH 3 F → FCH 3 + F - : A Qualitative Rule To Predict Success or Failure of GGAs

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2000-09, Vol.104 (37), p.8558-8565

2000

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One - determinantal pure state versus ensemble Kohn-Sham solutions in the case of strong electron correlation: CH 2 and C 2

Theoretical chemistry accounts, 1998-09, Vol.99 (5), p.329-343

1998

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Kohn-Sham potentials and exchange and correlation energy densities from one- and two-electron density matrices for Li 2 , N 2 , and F 2

Physical review. A, Atomic, molecular, and optical physics, 1998-03, Vol.57 (3), p.1729-1742

1998

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Origin of the field-counteracting term of the Kohn-Sham exchange-correlation potential of molecular chains in an electric field

Physical review. A, Atomic, molecular, and optical physics, 2000-07, Vol.62 (1), Article 012507

2000

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Effect of Pauli repulsion on the molecular exchange-correlation Kohn-Sham potential: A comparative calculation of Ne 2 and N 2

Physical review. A, Atomic, molecular, and optical physics, 1998-05, Vol.57 (5), p.3450-3457

1998

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The impact of hunting on tropical mammal and bird populations

Science (American Association for the Advancement of Science), 2017-04, Vol.356 (6334), p.180-183

2017

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Farnesoid X receptor activation inhibits inflammation and preserves the intestinal barrier in inflammatory bowel disease

Gut, 2011-04, Vol.60 (4), p.463-472

2011

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A process classification framework for defining and describing Digital Fabrication with Concrete

Cement and concrete research, 2020-08, Vol.134, p.106068, Article 106068

2020

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Reliability and validity of handheld structured light scanners and a static stereophotogrammetry system in facial three-dimensional surface imaging

Scientific reports, 2024-04, Vol.14 (1), p.8172-8172, Article 8172

2024

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Auswirkungen der SARS-CoV-2-Pandemie auf die universitäre Hals-Nasen-Ohrenheilkunde im Bereich der Krankenversorgung

Laryngo- rhino- otologie, 2020-10, Vol.99 (10), p.694-706

2020

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Rates of accumulation of cadmium and uranium in a New Zealand hill farm soil as a result of long-term use of phosphate fertilizer

Agriculture, ecosystems & environment, 2011-11, Vol.144 (1), p.95-101

2011

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Quantifying thermal adaptation of soil microbial respiration

Nature communications, 2023-09, Vol.14 (1), p.5459-5459, Article 5459

2023

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3D Printing Concrete on temporary surfaces: The design and fabrication of a concrete shell structure

Automation in construction, 2018-10, Vol.94, p.395-404

2018

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The ISOLDE facility

Journal of physics. G, Nuclear and particle physics, 2017-09, Vol.44 (9), p.94002

2017

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PI3K-C2α knockdown decreases autophagy and maturation of endocytic vesicles

PloS one, 2017-09, Vol.12 (9), p.e0184909-e0184909

2017

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Omitting Routine Radiography of Traumatic Ankle Fractures After Initial 2-Week Follow-up Does Not Affect Outcomes: The WARRIOR Trial: A Multicenter Randomized Controlled Trial

Journal of bone and joint surgery. American volume, 2020-09, Vol.102 (18), p.1588-1599

2020

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Electric Field Dependence of the Exchange-Correlation Potential in Molecular Chains

Comparison of the Accurate Kohn−Sham Solution with the Generalized Gradient Approximations (GGAs) for the SN2 Reaction F- + CH3F → FCH3 + F-: A Qualitative Rule To Predict Success or Failure of GGAs

Molecular calculations of excitation energies and (hyper)polarizabilities with a statistical average of orbital model exchange-correlation potentials

Exchange and correlation energy in density functional theory: Comparison of accurate density functional theory quantities with traditional Hartree–Fock based ones and generalized gradient approximations for the molecules Li2, N2, F2

Benchmark calculations of chemical reactions in density functional theory: Comparison of the accurate Kohn–Sham solution with generalized gradient approximations for the H2+H and H2+H2 reactions

Ensuring proper short-range and asymptotic behavior of the exchange-correlation Kohn-Sham potential by modeling with a statistical average of different orbital model potentials

Kohn-Sham potentials corresponding to Slater and Gaussian basis set densities

Density-functional-theory response-property calculations with accurate exchange-correlation potentials

Comparison of the Accurate Kohn−Sham Solution with the Generalized Gradient Approximations (GGAs) for the S N 2 Reaction F - + CH 3 F → FCH 3 + F - : A Qualitative Rule To Predict Success or Failure of GGAs

One - determinantal pure state versus ensemble Kohn-Sham solutions in the case of strong electron correlation: CH 2 and C 2

Kohn-Sham potentials and exchange and correlation energy densities from one- and two-electron density matrices for Li 2 , N 2 , and F 2

Origin of the field-counteracting term of the Kohn-Sham exchange-correlation potential of molecular chains in an electric field

Effect of Pauli repulsion on the molecular exchange-correlation Kohn-Sham potential: A comparative calculation of Ne 2 and N 2

The impact of hunting on tropical mammal and bird populations

Farnesoid X receptor activation inhibits inflammation and preserves the intestinal barrier in inflammatory bowel disease

A process classification framework for defining and describing Digital Fabrication with Concrete

Auswirkungen der SARS-CoV‑2-Pandemie auf die universitäre Hals-Nasen-Ohren-Heilkunde im Bereich der Forschung, Lehre und Weiterbildung

Reliability and validity of handheld structured light scanners and a static stereophotogrammetry system in facial three-dimensional surface imaging

Auswirkungen der SARS-CoV-2-Pandemie auf die universitäre Hals-Nasen-Ohrenheilkunde im Bereich der Krankenversorgung

Rates of accumulation of cadmium and uranium in a New Zealand hill farm soil as a result of long-term use of phosphate fertilizer

Quantifying thermal adaptation of soil microbial respiration

3D Printing Concrete on temporary surfaces: The design and fabrication of a concrete shell structure

The ISOLDE facility

PI3K-C2α knockdown decreases autophagy and maturation of endocytic vesicles

Omitting Routine Radiography of Traumatic Ankle Fractures After Initial 2-Week Follow-up Does Not Affect Outcomes: The WARRIOR Trial: A Multicenter Randomized Controlled Trial

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