登录注册
Quick Links : Mindat手册The Rock H. Currier Digital LibraryMindat Newsletter [Free Download]
主页关于 MindatMindat手册Mindat的历史版权Who We Are联系我们于 Mindat.org刊登广告
捐赠给 MindatCorporate Sponsorship赞助板页已赞助的板页在 Mindat刊登 广告的广告商于 Mindat.org刊登广告
Learning CenterWhat is a mineral?The most common minerals on earthInformation for EducatorsMindat ArticlesThe ElementsThe Rock H. Currier Digital LibraryGeologic Time
搜索矿物的性质搜索矿物的化学Mineral Visual ExplorerAdvanced Locality Search随意显示任何一 种矿物Random Locality使用minID搜索邻近产地Search Articles搜索词汇表更多搜索选项
搜索:
矿物名称:
地区产地名称:
关键字:
 
Mindat手册添加新照片Rate Photos产区编辑报告Coordinate Completion Report添加词汇表项目
Mining Companies统计会员列表Mineral MuseumsClubs & Organizations矿物展及活动The Mindat目录表设备设置The Mineral QuizTime Machine
照片搜索Photo GalleriesSearch by ColorPhoto Colour Explorer今天最新的照片昨天最新的照片用户照片相集过去每日精选照片相集Photography

Ferenczy, Gyorgy G., Reynolds, Christopher A., Richards, W. Graham (1990) Semiempirical AM1 electrostatic potentials and AM1 electrostatic potential derived charges: A comparison withab initio values. Journal of Computational Chemistry, 11 (2). 159-169 doi:10.1002/jcc.540110202

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleSemiempirical AM1 electrostatic potentials and AM1 electrostatic potential derived charges: A comparison withab initio values
JournalJournal of Computational Chemistry
AuthorsFerenczy, Gyorgy G.Author
Reynolds, Christopher A.Author
Richards, W. GrahamAuthor
Year1990 (March)Volume11
Issue2
PublisherWiley
DOIdoi:10.1002/jcc.540110202Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID3145510Long-form Identifiermindat:1:5:3145510:1
GUID0
Full ReferenceFerenczy, Gyorgy G., Reynolds, Christopher A., Richards, W. Graham (1990) Semiempirical AM1 electrostatic potentials and AM1 electrostatic potential derived charges: A comparison withab initio values. Journal of Computational Chemistry, 11 (2). 159-169 doi:10.1002/jcc.540110202
Plain TextFerenczy, Gyorgy G., Reynolds, Christopher A., Richards, W. Graham (1990) Semiempirical AM1 electrostatic potentials and AM1 electrostatic potential derived charges: A comparison withab initio values. Journal of Computational Chemistry, 11 (2). 159-169 doi:10.1002/jcc.540110202
In(1990, March) Journal of Computational Chemistry Vol. 11 (2) Wiley

See Also

These are possibly similar items as determined by title/reference text matching only.

Reynolds, Christopher A., Ferenczy, Gyorgy G., Richards, W.Graham (1992) Methods for determining the reliability of semiempirical electrostatic potentials and potential derived charges. Journal of Molecular Structure: THEOCHEM, 256. 249-269 doi:10.1016/0166-1280(92)87170-5
Ford, George P., Wang, Bingze (1993) New approach to the rapid semiempirical calculation of molecular electrostatic potentials based on the am1 wave function: Comparison withab initio hf/6-31g* results. Journal of Computational Chemistry, 14 (9). 1101-1111 doi:10.1002/jcc.540140911
Wang, Bingze, Ford, George P. (1994) Atomic charges derived from a fast and accurate method for electrostatic potentials based on modified AM1 calculations. Journal of Computational Chemistry, 15 (2). 200-207 doi:10.1002/jcc.540150210
Orozco, M., Luque, F. J. (1990) On the use of AM1 and MNDO wave functions to compute accurate electrostatic charges. Journal of Computational Chemistry, 11 (8). 909-923 doi:10.1002/jcc.540110803
Rauhut, Guntram, Clark, Timothy (1993) Multicenter point charge model for high-quality molecular electrostatic potentials from AM1 calculations. Journal of Computational Chemistry, 14 (5). 503-509 doi:10.1002/jcc.540140502
Alhambra, C., Luque, F. J., Orozco, Modesto (1994) Comparison of NDDO and quasi-ab initio approaches to compute semiempirical molecular electrostatic potentials. Journal of Computational Chemistry, 15 (1). 12-22 doi:10.1002/jcc.540150103
Chirlian, Lisa Emily, Francl, Michelle Miller (1987) Atomic charges derived from electrostatic potentials: A detailed study. Journal of Computational Chemistry, 8 (6). 894-905 doi:10.1002/jcc.540080616
Alkorta, Ibon, Villar, Hugo O., Arteca, Gustavo A. (1993) Comparative study betweenab initio and semiempirical electrostatic potentials on molecular surfaces. Journal of Computational Chemistry, 14 (5). 530-540 doi:10.1002/jcc.540140505
Higgins, Derek, Thomson, Colin (1988) A theoretical study of the rotational isomers of nitrosomethanol by semiempirical (AM1) andab initio methods. Journal of Computational Chemistry, 9 (3). 212-221 doi:10.1002/jcc.540090305
Merz, Kenneth M. (1992) Analysis of a large data base of electrostatic potential derived atomic charges. Journal of Computational Chemistry, 13 (6). 749-767 doi:10.1002/jcc.540130609
Stewart, James J. P. (1990) Reply to ?Comments on a comparison of AM1 with the recently developed PM3 method?. Journal of Computational Chemistry, 11 (4). 543-544 doi:10.1002/jcc.540110414
 
and/or  
版权所有© mindat.org1993年至2026年，除了规定的地方。 Mindat.org全赖于全球数千个以上成员和支持者们的参与。
To cite: Ralph, J., Von Bargen, D., Martynov, P., Zhang, J., Que, X., Prabhu, A., Morrison, S. M., Li, W., Chen, W., & Ma, X. (2025). Mindat.org: The open access mineralogy database to accelerate data-intensive geoscience research. American Mineralogist, 110(6), 833–844. doi:10.2138/am-2024-9486.
隐私政策 - 条款和条款细则 - 联络我们 - Report a bug/vulnerability Current server date and time: 2026.6.7 23:35:29
Go to top of page