Study of electrostatic potential surface distribution of wild-type plastocyaninSynechocystissolution structure determined by homonuclear NMR

Daniel Monleón; Bernardo Celda

doi:10.1002/bip.10472

Study of electrostatic potential surface distribution of wild-type plastocyaninSynechocystissolution structure determined by homonuclear NMR

Biopolymers ◽

10.1002/bip.10472 ◽

2003 ◽

Vol 70 (2) ◽

pp. 212-220 ◽

Cited By ~ 5

Author(s):

Daniel Monleón ◽

Bernardo Celda

Keyword(s):

Electrostatic Potential ◽

Potential Surface ◽

Wild Type ◽

Surface Distribution ◽

Electrostatic Potential Surface

Reactivity of etoricoxib based on computational study of molecular orbitals, molecular electrostatic potential surface and Mulliken charge analysis

10.1063/1.5033181 ◽

2018 ◽

Author(s):

Ritika Sachdeva ◽

Abhinav Soni ◽

V. P. Singh ◽

G. S. S. Saini

Keyword(s):

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Potential Surface ◽

Computational Study ◽

Molecular Orbitals ◽

Mulliken Charge ◽

Electrostatic Potential Surface ◽

Charge Analysis ◽

Molecular Electrostatic Potential Surface

A boron-exposed TiB3 monolayer with a lower electrostatic-potential surface as a higher-performance anode material for Li-ion and Na-ion batteries

Physical Chemistry Chemical Physics ◽

10.1039/d0cp04204h ◽

2020 ◽

Vol 22 (39) ◽

pp. 22236-22243

Author(s):

Rong Li ◽

Yatong Wang ◽

Li-Chun Xu ◽

Jiale Shen ◽

Wenyang Zhao ◽

...

Keyword(s):

Anode Material ◽

Electrostatic Potential ◽

Anode Materials ◽

High Performance ◽

Potential Surface ◽

Major Obstacle ◽

Electrostatic Potential Surface ◽

Li Ion

The lack of high-performance anode materials has become a major obstacle to the development of Li- and Na-ion batteries.

Application of Molecular Electrostatic Potential Surface to Predict Supramolecular Synthons for RDX/Solvent Cocrystals

Crystal Research and Technology ◽

10.1002/crat.201900171 ◽

2019 ◽

Vol 54 (12) ◽

pp. 1900171

Author(s):

Kun Wang ◽

Xiao Zhao ◽

Weihua Zhu

Keyword(s):

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Potential Surface ◽

Supramolecular Synthons ◽

Electrostatic Potential Surface ◽

Molecular Electrostatic Potential Surface

Vibrational Spectroscopic (FTIR And FT-Raman) Studies, HOMO LUMO Analysis, NMR Chemical Shifts And Electrostatic Potential Surface Of 2, 3- Dibromofuran

Frontiers in Optics 2015 ◽

10.1364/fio.2015.jw2a.23 ◽

2015 ◽

Author(s):

S. Sruti ◽

M.P. Rasheed

Keyword(s):

Electrostatic Potential ◽

Potential Surface ◽

Chemical Shifts ◽

Nmr Chemical Shifts ◽

Electrostatic Potential Surface ◽

Homo Lumo ◽

Ft Raman

Correlation of the molecular electrostatic potential surface of an enzymic transition state with novel transition-state inhibitors

Biochemistry ◽

10.1021/bi00089a007 ◽

1993 ◽

Vol 32 (38) ◽

pp. 9917-9925 ◽

Cited By ~ 29

Author(s):

Benjamin A. Horenstein ◽

Vern L. Schramm

Keyword(s):

Transition State ◽

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Potential Surface ◽

Electrostatic Potential Surface ◽

Molecular Electrostatic Potential Surface

Autocorrelation of Molecular Electrostatic Potential Surface Properties Combined with Partial Least Squares Analysis as Alternative Attractive Tool to Generate Ligand-Based 3D-QSARs

Current Drug Discovery Technologies ◽

10.2174/1570163053175439 ◽

2005 ◽

Vol 2 (1) ◽

pp. 13-21 ◽

Cited By ~ 54

Author(s):

Stefano Moro ◽

Magdalena Bacilieri ◽

Cristina Ferrari ◽

Giampiero Spalluto

Keyword(s):

Least Squares ◽

Partial Least Squares ◽

Surface Properties ◽

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Potential Surface ◽

Partial Least Squares Analysis ◽

Electrostatic Potential Surface ◽

Molecular Electrostatic Potential Surface

Dynamic properties and electrostatic potential surface of neutral DNA heteropolymers

Journal of the American Chemical Society ◽

10.1021/ja00182a004 ◽

1990 ◽

Vol 112 (26) ◽

pp. 9468-9474 ◽

Cited By ~ 20

Author(s):

Frederick H. Hausheer ◽

U. Chandra Singh ◽

Thomas C. Palmer ◽

Jeffey D. Saxe

Keyword(s):

Electrostatic Potential ◽

Potential Surface ◽

Dynamic Properties ◽

Electrostatic Potential Surface

Rotational isomers, vibrational assignments, HOMO–LUMO, NLO properties and molecular electrostatic potential surface of N-(2 bromoethyl) phthalimide

Journal of Molecular Structure ◽

10.1016/j.molstruc.2011.08.051 ◽

2011 ◽

Vol 1005 (1-3) ◽

pp. 202-213 ◽

Cited By ~ 20

Author(s):

T. Karthick ◽

V. Balachandran ◽

S. Perumal ◽

A. Nataraj

Keyword(s):

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Potential Surface ◽

Nlo Properties ◽

Vibrational Assignments ◽

Rotational Isomers ◽

Electrostatic Potential Surface ◽

Molecular Electrostatic Potential Surface ◽

Homo Lumo

Vibrational (FT-IR and FT-Raman) spectra, NBO, HOMO–LUMO, Molecular electrostatic potential surface and computational analysis of 4-(trifluoromethyl)benzylbromide

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.06.120 ◽

2013 ◽

Vol 116 ◽

pp. 84-95 ◽

Cited By ~ 17

Author(s):

M. Karnan ◽

V. Balachandran ◽

M. Murugan ◽

M.K. Murali ◽

A. Nataraj

Keyword(s):

Raman Spectra ◽

Electrostatic Potential ◽

Computational Analysis ◽

Molecular Electrostatic Potential ◽

Potential Surface ◽

Electrostatic Potential Surface ◽

Molecular Electrostatic Potential Surface ◽

Ft Ir ◽

Homo Lumo ◽

Ft Raman

Vibrational spectroscopic (FT-IR and FT-Raman) studies, natural bond orbital analysis and molecular electrostatic potential surface of 3-hydroxy-6-methyl-2-nitropyridine

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2012.05.007 ◽

2012 ◽

Vol 96 ◽

pp. 51-62 ◽

Cited By ~ 20

Author(s):

M. Karnan ◽

V. Balachandran ◽

M. Murugan

Keyword(s):

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Natural Bond Orbital ◽

Potential Surface ◽

Natural Bond Orbital Analysis ◽

Electrostatic Potential Surface ◽

Molecular Electrostatic Potential Surface ◽

Ft Ir ◽

Orbital Analysis ◽

Ft Raman