SCOPUS 정보 검색 플랫폼

Volumn 556, Issue 1-3, 2000, Pages 59-67

A practical method for modeling solids using semiempirical methods

Author keywords

Ewald; Hydrates; Madelung; Minerals; NDDO; PM3; Semiempirical; Solids

Indexed keywords

POLYMER;

ARTICLE; CRYSTAL; MATHEMATICAL ANALYSIS; METHODOLOGY; MOLECULAR MODEL; QUANTUM MECHANICS; SOLID;

EID: 0034642264 PISSN: 00222860 EISSN: None Source Type: Journal
DOI: 10.1016/S0022-2860(00)00651-7 Document Type: Article

Times cited : (10)

References (14)

1
- 37049101110
- Cluster model for solids
- (1980) J. Chem. Soc. Faraday II , vol.76 , pp. 520-533
- Perkins, P.G.¹ Stewart, J.J.P.²

2
- 0023541665
- MNDO cluster model calculations on organic polymers
- (1987) New Polymeric Materials , vol.1 , pp. 53-61
- Stewart, J.J.P.¹

5
- 0003785604
- Fujitsu Ltd., Tokyo, Japan
- MOPAC 2000 , pp. 1999
- Stewart, J.J.P.¹

6
- 24444468650
- Ground states of molecules. 38. The MNDO method. Approximations and parameters
- (1977) J. Am. Chem. Soc. , vol.99 , pp. 4899-4907
- Dewar, M.J.S.¹ Thiel, W.²

7
- 0842341771
- AM1: A new general purpose quantum mechanical model
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 3902-3909
- Dewar, M.J.S.¹ Zoebisch, E.G.² Healy, E.F.³ Stewart, J.J.P.⁴

8
- 84988129057
- Optimization of parameters for semi-empirical methods I - Method
- (1989) J. Comput. Chem. , vol.10 , pp. 209-220
- Stewart, J.J.P.¹

9
- 0003998388
- CRC Press, Boca Raton, FL
- (1980) CRC Handbook of Chemistry and Physics
- Weast, R.C.¹

11
- 0001235619
- (1971) Acta Crystallogr. B. , vol.27 , pp. 2133
- Baur, W.H.¹ Khan, A.A.²

12
- 0001379933
- Extension of the MNDO formalism to d orbitals: Integral approximations and preliminary numerical results
- (1992) Theor. Chim. Acta , vol.81 , pp. 391-404
- Thiel, W.¹ Voityuk, A.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.