gaussian16 Search Results


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Gaussian inc gaussian 16 software
Gaussian 16 Software, supplied by Gaussian inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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Gaussian 16 Suite, supplied by Gaussian inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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gaussian 16 suite - by Bioz Stars, 2026-08
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Gaussian inc gaussian16 revision a.03
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https://www.bioz.com/product/gaussian16/pm38708998__ja4c01097_si_001-164-6-9?v=Gaussian+inc
Average 90 stars, based on 1 article reviews
gaussian16 revision a.03 - by Bioz Stars, 2026-08
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Gaussian 16 Revision A.03, supplied by TURBOMOLE GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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Average 90 stars, based on 1 article reviews
gaussian 16 revision a.03 - by Bioz Stars, 2026-08
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SusTech GmbH gaussian 16 (revision a.03) program
Gaussian 16 (Revision A.03) Program, supplied by SusTech GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/gaussian16/pmc09087827__RA___008___C8RA08360F___s001-122-10-27?v=SusTech+GmbH
Average 90 stars, based on 1 article reviews
gaussian 16 (revision a.03) program - by Bioz Stars, 2026-08
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Gaussian inc gaussian 16 b.01
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https://www.bioz.com/product/gaussian16/pm32701282__jp0c04714_si_001-61-34-37?v=Gaussian+inc
Average 90 stars, based on 1 article reviews
gaussian 16 b.01 - by Bioz Stars, 2026-08
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Gaussian inc gaussian 16(revision c.01)
Gaussian 16(revision C.01), supplied by Gaussian inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/gaussian16/10__1021_slash_acs__cgd__3c00676-369-2-7?v=Gaussian+inc
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gaussian 16(revision c.01) - by Bioz Stars, 2026-08
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Gaussian inc density functional theory using gaussian 16
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https://www.bioz.com/product/gaussian16/us11829025-447-44-48?v=Gaussian+inc
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Cyberscience Corporation gaussian 09
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Gaussian inc dft calculations gaussian 16 (revision c.01)
Most significant 2D-NMR data of zosterabisphenone C ( 1 ). Left: HMBC correlations; for clarity, arrows are color-coded according to the proton involved. Right: ROESY correlations, shown using the minimum energy conformation as determined by the <t>DFT</t> calculation.
Dft Calculations Gaussian 16 (Revision C.01), supplied by Gaussian inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/gaussian16/pmc09623580-121-0-11?v=Gaussian+inc
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Wavefunction inc gaussian 16 program
Most significant 2D-NMR data of zosterabisphenone C ( 1 ). Left: HMBC correlations; for clarity, arrows are color-coded according to the proton involved. Right: ROESY correlations, shown using the minimum energy conformation as determined by the <t>DFT</t> calculation.
Gaussian 16 Program, supplied by Wavefunction inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/gaussian16/pm36105730-150-30-26?v=Wavefunction+inc
Average 90 stars, based on 1 article reviews
gaussian 16 program - by Bioz Stars, 2026-08
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Image Search Results


Most significant 2D-NMR data of zosterabisphenone C ( 1 ). Left: HMBC correlations; for clarity, arrows are color-coded according to the proton involved. Right: ROESY correlations, shown using the minimum energy conformation as determined by the DFT calculation.

Journal: Journal of Natural Products

Article Title: A Cytotoxic Heterodimeric Cyclic Diarylheptanoid with a Rearranged Benzene Ring from the Seagrass Zostera marina

doi: 10.1021/acs.jnatprod.2c00796

Figure Lengend Snippet: Most significant 2D-NMR data of zosterabisphenone C ( 1 ). Left: HMBC correlations; for clarity, arrows are color-coded according to the proton involved. Right: ROESY correlations, shown using the minimum energy conformation as determined by the DFT calculation.

Article Snippet: DFT calculations were performed using the program Gaussian 16 (Revision C.01, Gaussian Inc.), using the B3LYP/6-31+G(d,p) level of theory for structure optimization, the Gauge Invariant Atomic Orbitals (GIAO) method at the PBE0/6-311+G(2d,p) level of theory and the PCM solvent model for the prediction of NMR chemical shifts, and the time-dependent DFT (TDDFT) method at the ωB97XD/6-31+G(d,p) level of theory and the PCM solvent model for the ECD prediction.

Techniques: