transferable atom equivalent
Recently Published Documents

TOTAL DOCUMENTS

4

(FIVE YEARS 0)

H-INDEX

3

(FIVE YEARS 0)

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Generation of electron density derived TAE (Transferable Atom Equivalent) descriptors for Materials QSPR (Quantitative Structure Property Relationship) modeling for metal containing systems.

Frontiers in Chemistry ◽

10.3389/conf.fchem.2018.01.00044 ◽

2018 ◽

Vol 6 ◽

Author(s):

Tyree Ratcliff ◽

Benjamin Kaufold ◽

Curt Breneman

Keyword(s):

Electron Density ◽

Quantitative Structure ◽

Structure Property ◽

Quantitative Structure Property Relationship ◽

Property Relationship ◽

Structure Property Relationship ◽

Transferable Atom Equivalent

Transferable atom equivalent multicentered multipole expansion method

Journal of Computational Chemistry ◽

10.1002/jcc.10240 ◽

2003 ◽

Vol 24 (4) ◽

pp. 512-529 ◽

Cited By ~ 41

Author(s):

C. E. Whitehead ◽

C. M. Breneman ◽

N. Sukumar ◽

M. D. Ryan

Keyword(s):

Expansion Method ◽

Multipole Expansion ◽

Multipole Expansion Method ◽

Transferable Atom Equivalent

QSPR analysis of HPLC column capacity factors for a set of high-energy materials using electronic van der waals surface property descriptors computed by transferable atom equivalent method

Journal of Computational Chemistry ◽

10.1002/(sici)1096-987x(19970130)18:2<182::aid-jcc4>3.0.co;2-r ◽

1997 ◽

Vol 18 (2) ◽

pp. 182-197 ◽

Cited By ~ 57

Author(s):

Curt M. Breneman ◽

Marlon Rhem

Keyword(s):

Surface Property ◽

Van Der Waals ◽

High Energy ◽

Energy Materials ◽

High Energy Materials ◽

Hplc Column ◽

Transferable Atom Equivalent ◽

Van Der Waals Surface ◽

Equivalent Method

Electron density modeling of large systems using the transferable atom equivalent method

Computers & Chemistry ◽

10.1016/0097-8485(94)00052-g ◽

1995 ◽

Vol 19 (3) ◽

pp. 161-179 ◽

Cited By ~ 62

Author(s):

Curt M. Breneman ◽

Tracy R. Thompson ◽

Marlon Rhem ◽

Mei Dung

Keyword(s):

Electron Density ◽

Transferable Atom Equivalent ◽

Large Systems ◽

Equivalent Method ◽

Density Modeling