Review




Structured Review

Wavefunction inc spartan 04 software spartan 04
Spartan 04 Software Spartan 04, 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/spartan%E2%80%9904+software/spartan%E2%80%9914+software/10__1016_slash_j__molstruc__2024__138407-559-14-19
Average 90 stars, based on 1 article reviews
spartan 04 software spartan 04 - by Bioz Stars, 2026-09
90/100 stars

Images

Related Articles

Functional Assay:

Article Title: Interaction of silicic acid with goethite.
Article Snippet: The adsorption of Si on goethite (α-FeOOH) has been studied in batch experiments that cover the natural range of Si concentrations as found in the environment.. The results have been interpreted and quantified with the charge distribution (CD) and multi-site surface complexation (MUSIC) model in combination with an extended Stern (ES) layer model option.. This new double layer approach (ES) accounts for ordering of interfacial water molecules leading to stepwise changes in the location of electrolyte ions near the surface [T. Hiemstra, W.H.

Article Title: Amine nitrosation via NO reduction of the polyamine copper(II) complex Cu(DAC)2+.
Article Snippet: The reaction of the fluorescent macrocyclic ligand 1,8-bis(anthracen-9-ylmethyl)-1,4,8,11-tetraazacyclotetradecane with copper(II) salts leads to formation of the Cu(DAC)2+ cation (I), which is not luminescent.. However, when aqueous methanol solutions of I are allowed to react with NO, fluorescence again develops, owing to the formation of the strongly luminescent N-nitrosated ligand DAC-NO (II), which is released from the copper center.. This reaction is relatively slow in neutral media, and kinetics studies show it to be first order in the concentrations of NO and base.

Article Title: A new germacranolide from Ageratina vernalis .
Article Snippet: The aerial parts of Ageratina vernalis provided the new germacranolide 1,10-epoxydeltoidin A (3), together with the known pentacyclic triterpenoid hopane-6a,22-diol (1), and the also known germacranolides deltoidin A (2) and 15-hydroxydeltoidin A (4).. In addition, pTsOH catalyzed cyclization of 2 afforded the new guaianolide 5.. The absolute configuration of 2, 4, and 5 was assigned by vibrational circular dichroism spectroscopy, while the complete H and C NMR data assignments of 2-5 followed from 1Dand 2D-NMR experiments.

Article Title: DFT molecular modeling and NMR conformational analysis of a new longipinenetriolone diester
Article Snippet: The structure and conformational behavior of the new natural compound (4R,5S,7S,8R,9S,10R,11R)-longipin-2-en-7,8,9-triol-1-one 7angelate-9-isovalerate (1) isolated from Stevia eupatoria, were studied by molecular modeling and NMR spectroscopy.. A Monte Carlo search followed by DFT calculations at the B3LYP/6-31G* level provided the theoretical conformations of the sesquiterpene framework, which were in full agreement with results derived from the H–H coupling constant analysis. q 2006 Elsevier B.V. All rights reserved.

Article Title: Autochelation in Dipeptide Boronic Acids: pH-Dependent Structures and Equilibria of Asp-boroPro and His-boroPro by NMR Spectroscopy
Article Snippet: Many dipeptide boronic acids of the type H2N-X-Y-B(OH)2 are potent protease inhibitors.. Interest in these compounds as drugs for cancer, diabetes, and other diseases is growing.. Because of the great mutual B-N affinity, cyclization through the Nand B-termini, forming six-membered rings, is a common occurrence at neutral pH and higher where the terminal amino group is unprotonated.

Software:

Article Title: Interaction of silicic acid with goethite.
Article Snippet: The adsorption of Si on goethite (α-FeOOH) has been studied in batch experiments that cover the natural range of Si concentrations as found in the environment.. The results have been interpreted and quantified with the charge distribution (CD) and multi-site surface complexation (MUSIC) model in combination with an extended Stern (ES) layer model option.. This new double layer approach (ES) accounts for ordering of interfacial water molecules leading to stepwise changes in the location of electrolyte ions near the surface [T. Hiemstra, W.H.

Article Title: Amine nitrosation via NO reduction of the polyamine copper(II) complex Cu(DAC)2+.
Article Snippet: The reaction of the fluorescent macrocyclic ligand 1,8-bis(anthracen-9-ylmethyl)-1,4,8,11-tetraazacyclotetradecane with copper(II) salts leads to formation of the Cu(DAC)2+ cation (I), which is not luminescent.. However, when aqueous methanol solutions of I are allowed to react with NO, fluorescence again develops, owing to the formation of the strongly luminescent N-nitrosated ligand DAC-NO (II), which is released from the copper center.. This reaction is relatively slow in neutral media, and kinetics studies show it to be first order in the concentrations of NO and base.

Article Title: A new germacranolide from Ageratina vernalis .
Article Snippet: The aerial parts of Ageratina vernalis provided the new germacranolide 1,10-epoxydeltoidin A (3), together with the known pentacyclic triterpenoid hopane-6a,22-diol (1), and the also known germacranolides deltoidin A (2) and 15-hydroxydeltoidin A (4).. In addition, pTsOH catalyzed cyclization of 2 afforded the new guaianolide 5.. The absolute configuration of 2, 4, and 5 was assigned by vibrational circular dichroism spectroscopy, while the complete H and C NMR data assignments of 2-5 followed from 1Dand 2D-NMR experiments.

Article Title: DFT molecular modeling and NMR conformational analysis of a new longipinenetriolone diester
Article Snippet: The structure and conformational behavior of the new natural compound (4R,5S,7S,8R,9S,10R,11R)-longipin-2-en-7,8,9-triol-1-one 7angelate-9-isovalerate (1) isolated from Stevia eupatoria, were studied by molecular modeling and NMR spectroscopy.. A Monte Carlo search followed by DFT calculations at the B3LYP/6-31G* level provided the theoretical conformations of the sesquiterpene framework, which were in full agreement with results derived from the H–H coupling constant analysis. q 2006 Elsevier B.V. All rights reserved.

Article Title: Autochelation in Dipeptide Boronic Acids: pH-Dependent Structures and Equilibria of Asp-boroPro and His-boroPro by NMR Spectroscopy
Article Snippet: Many dipeptide boronic acids of the type H2N-X-Y-B(OH)2 are potent protease inhibitors.. Interest in these compounds as drugs for cancer, diabetes, and other diseases is growing.. Because of the great mutual B-N affinity, cyclization through the Nand B-termini, forming six-membered rings, is a common occurrence at neutral pH and higher where the terminal amino group is unprotonated.



Similar Products

90
Wavefunction inc spartan 04 software spartan 04
Spartan 04 Software Spartan 04, 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/spartan%E2%80%9904+software/spartan%E2%80%9914+software/10__1016_slash_j__molstruc__2024__138407-559-14-19
Average 90 stars, based on 1 article reviews
spartan 04 software spartan 04 - by Bioz Stars, 2026-09
90/100 stars
  Buy from Supplier

90
Wavefunction inc spartan’04 software
Spartan’04 Software, 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/spartan%E2%80%9904+software/spartan%E2%80%9914+software/pm32998543-110-20-22
Average 90 stars, based on 1 article reviews
spartan’04 software - by Bioz Stars, 2026-09
90/100 stars
  Buy from Supplier

90
Wavefunction inc spartan'04 software
Spartan'04 Software, 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/spartan%E2%80%9904+software/spartan%E2%80%9914+software/pm34788903-46-13-15
Average 90 stars, based on 1 article reviews
spartan'04 software - by Bioz Stars, 2026-09
90/100 stars
  Buy from Supplier

90
Wavefunction inc spartan 04 software
Spartan 04 Software, 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/spartan%E2%80%9904+software/spartan%E2%80%9914+software/pm33242919-45-18-21
Average 90 stars, based on 1 article reviews
spartan 04 software - by Bioz Stars, 2026-09
90/100 stars
  Buy from Supplier

90
Wavefunction inc spartan’04 software package
Spartan’04 Software Package, 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/spartan%E2%80%9904+software/spartan%E2%80%9914+software/pm32848744-54-15-18
Average 90 stars, based on 1 article reviews
spartan’04 software package - by Bioz Stars, 2026-09
90/100 stars
  Buy from Supplier

90
Wavefunction inc molecular modelling simulation software spartan '04
Molecular Modelling Simulation Software Spartan '04, 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/spartan%E2%80%9904+software/molecular+mechanics+software+spartan+06/pm28791744-43-2-6
Average 90 stars, based on 1 article reviews
molecular modelling simulation software spartan '04 - by Bioz Stars, 2026-09
90/100 stars
  Buy from Supplier

Image Search Results