SCOPUS 정보 검색 플랫폼

Journal of Computational Chemistry

Volumn 14, Issue 2, 1993, Pages 206-215

Monte Carlo simulations of pure liquid substituted benzenes with OPLS potential functions

(4) Jorgensen, William L a Laird, Ellen R a Nguyen, Toan B a Tirado‐Rives, Julian a

a YALE UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANILINE; AROMATIC COMPOUNDS; BENZENE; COMPUTER SIMULATION; DISTRIBUTION FUNCTIONS; FUNCTIONAL GROUPS; HYDROGEN BONDS; INTELLIGENT SYSTEMS; LIQUIDS; STATISTICAL MECHANICS; VAPORIZATION;

CONDENSED-PHASE EFFECTS; HEAT OF VAPORIZATION; HEATS OF VAPORIZATION; INTERMOLECULAR POTENTIALS; ORGANIC FUNCTIONAL GROUPS; RADIAL DISTRIBUTION FUNCTIONS; SUBSTITUTED BENZENES; TORSIONAL ENERGIES;

MONTE CARLO METHODS;

EID: 84913602953 PISSN: 01928651 EISSN: 1096987X Source Type: Journal
DOI: 10.1002/jcc.540140208 Document Type: Article

Times cited : (165)

References (27)

1
- 0003894824
- J.F. Stoddart, Royal Society of Chemistry, Cambridge, UK
- (1991) Cyclophanes, Monographs in Supramolecular Chemistry , vol.2
- Diederich, F.¹

2
- 0003450582
- Academic Press, New York
- (1992) The Organic Chemistry of Drug Design and Drug Action
- Silverman, R.S.¹

3
- 84555200180
- Enhanced view of structure and binding for cyclophane-arene complexes through joint theoretical and experimental study
- (1992) Journal of the American Chemical Society , vol.114 , pp. 4003
- Jorgensen, W.L.¹ Nguyen, T.B.² Sanford, E.M.³ Chao, I.⁴ Houk, K.N.⁵ Diederich, F.⁶

4
- 33645941402
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 1657
- Jorgensen, W.L.¹ Tirado‐Rives, J.²

5
- 0008901450
- (1990) J. Phys. Chem. , vol.94 , pp. 1683
- Jorgensen, W.L.¹ Briggs, J.M.² Contreras, L.³

6
- 0000291225
- (1986) J. Phys. Chem. , vol.90 , pp. 1276
- Jorgensen, W.L.¹

7
- 0009004034
- Monte Carlo simulations of the hydration of substituted benzenes with OPLS potential functions
- (1993) Journal of Computational Chemistry , vol.14 , pp. 195
- Jorgensen, W.L.¹ Nguyen, T.B.²

8
- 0003710436
- 4th Ed., Wiley‐Interscience, New York
- (1986) Organic Solvents
- Riddick, J.A.¹ Bunger, W.B.² Sakano, T.K.³

9
- 0003628980
- Academic Press, New York
- (1970) Thermochemistry of Organic and Organometallic Compounds
- Cox, J.D.¹ Pilcher, G.²

10
- 84944179254
- Molecular structures of gas-phase polyatomic molecules determined by spectroscopic methods
- (1979) Journal of Physical and Chemical Reference Data , vol.8 , pp. 619
- Harmony, M.D.¹ Laurie, V.W.² Kuczkowski, R.L.³ Schwendeman, R.H.⁴ Ramsay, D.A.⁵ Lovas, F.J.⁶ Lafferty, W.J.⁷ Maki, A.G.⁸

11
- 0018456201
- (1979) J. Am. Chem. Soc. , vol.101 , pp. 2344
- Anderson, G.M.¹ Kollman, P.A.² Domelsmith, L.N.³ Houk, K.N.⁴

12
- 4143080301
- (1974) J. Mol. Struct. , vol.23 , pp. 253
- Lister, D.G.¹ Tyler, J.K.² Hog, J.H.³ Larsen, N.W.⁴

13
- 84986525771
- Structural studies of aromatic amines and the dna intercalating compoundsm-amsa ando-amsa: Comparison of mndo, am1, and pm3 to experimental andab initio results
- (1992) Journal of Computational Chemistry , vol.13 , pp. 640
- Smith, D.A.¹ Ulmer, C.W.² Gilbert, M.J.³

14
- 0000299809
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 4768
- Jorgensen, W.L.¹ Severance, D.L.²

15
- 0002516361
- (1967) Natl. Std. Ref. Data Serv., Natl. Bur. Std. US , vol.10 , pp. 1
- Nelson, R.D.¹ Lide, D.R.² Maryott, A.A.³

16
- 4243650830
- (1960) Spec. Acta , vol.16 , pp. 428
- Evans, J.C.¹

17
- 37049136748
- J. Chem. Soc. Chem. Commun.
- (1972) , pp. 308
- Radom, L.¹ Hehre, W.J.² Pople, J.A.³ Carlson, G.L.⁴ Fateley, W.G.⁵

18
- 33751554671
- (1990) J. Phys. Chem. , vol.94 , pp. 4483
- Spellmeyer, D.C.¹ Grootenhuis, P.D.J.² Miller, M.D.³ Kuyper, L.F.⁴ Kollman, P.A.⁵

19
- 0021515659
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 6638
- Jorgensen, W.L.¹ Madura, J.D.² Swenson, C.J.³

20
- 84906391926
- (1985) Mol. Phys. , vol.56 , pp. 1381
- Jorgensen, W.L.¹ Madura, J.D.²

21
- 84986523151
- Enthalpies of Vaporization of Organic Compounds, IUPAC Chemical Data Series No. 32, Blackwell Scientific Publications, Oxford, UK
- (1985) , pp. 59
- Majer, V.¹ Svoboda, V.²

22
- 37049064200
- J. Chem. Soc.
- (1960) , pp. 5246
- Andon, R.J.L.¹ Biddiscombe, D.P.² Cox, J.D.³ Handley, R.⁴ Harrop, D.⁵ Herrington, E.F.G.⁶ Martin, J.F.⁷

23
- 0012054130
- (1967) Trans. Faraday Soc. , vol.63 , pp. 1876
- Hales, J.L.¹ Lees, E.B.² Ruxton, D.J.³

24
- 4243812543
- (1982) Chem. Phys. Lett. , vol.92 , pp. 405
- Jorgensen, W.L.¹

25
- 0000812183
- (1983) J. Phys. Chem. , vol.87 , pp. 5304
- Jorgensen, W.L.¹

26
- 84986500406
- Monte Carlo simulations of liquid alkyl ethers with the OPLS potential functions
- (1990) Journal of Computational Chemistry , vol.11 , pp. 958
- Briggs, J.M.¹ Matsui, T.² Jorgensen, W.L.³

27
- 84913395815
- Monte Carlo simulations of liquid acetonitrile with a three-site model
- (1988) Molecular Physics , vol.63 , pp. 547
- Jorgensen, W.L.¹ Briggs, J.M.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.