-
1
-
-
27744450229
-
32S
-
DOI 10.1016/j.jms.2005.08.012, PII S002228520500202X
-
32S J. Mol. Spectrosc. 2005, 234, 190-194 (Pubitemid 41607972)
-
(2005)
Journal of Molecular Spectroscopy
, vol.234
, Issue.1
, pp. 190-194
-
-
Golubiatnikov, G.Yu.1
Lapinov, A.V.2
Guarnieri, A.3
Knochel, R.4
-
3
-
-
52049109437
-
Formation of Interstellar OCS: Radiation Chemistry and IR Spectra of Precursor Ices
-
Ferrante, R. F.; Moore, M. H.; Spiliotis, M. M.; Hudson, R. L. Formation of Interstellar OCS: Radiation Chemistry and IR Spectra of Precursor Ices Astrophys. J. 2008, 684, 1210-1220
-
(2008)
Astrophys. J.
, vol.684
, pp. 1210-1220
-
-
Ferrante, R.F.1
Moore, M.H.2
Spiliotis, M.M.3
Hudson, R.L.4
-
4
-
-
84985579964
-
Matrix Isolation of OSiS: IR Spectroscopic Evidence for the Si - S Double Bond
-
Schnöckel, H. Matrix Isolation of OSiS: IR Spectroscopic Evidence for the Si - S Double Bond Angew. Chem., Int. Ed. 1980, 19, 323-324
-
(1980)
Angew. Chem., Int. Ed.
, vol.19
, pp. 323-324
-
-
Schnöckel, H.1
-
5
-
-
0042285396
-
Gas-phase generation of silicon oxysulfide by flash vacuum thermolysis
-
Lefévre, V.; Levillain, J.; Ripoll, J. L.; Bailleux, S.; Bogey, M.; Wojnowski, W. Gas-Phase Generation of Silicon Oxysulfide by Flash Vacuum Thermolysis Phosphorus Sulfur 1998, 140, 73-77 (Pubitemid 128396122)
-
(1998)
Phosphorus, Sulfur and Silicon and Related Elements
, vol.140
, pp. 73-77
-
-
Lefevre, V.1
Levillain, J.2
Ripoll, J.-L.3
Bailleux, S.4
Bogey, M.5
Wojnowski, W.6
-
7
-
-
0006244148
-
A 5th-Order Perturbation Comparison of Electron Correlation Theories
-
Raghavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. A 5th-Order Perturbation Comparison of Electron Correlation Theories Chem. Phys. Lett. 1989, 157, 479-483
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 479-483
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
9
-
-
33746614482
-
Gaussian Basis Sets for Use in Correlated Molecular Calculations. I. The Atoms Boron through Neon and Hydrogen
-
Dunning, T. H., Jr. Gaussian Basis Sets for Use in Correlated Molecular Calculations. I. The Atoms Boron through Neon and Hydrogen J. Chem. Phys. 1989, 90, 1007-1023
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 1007-1023
-
-
Dunning, T.H..Jr.1
-
10
-
-
0035366784
-
Gaussian basis sets for use in correlated molecular calculations. X. The atoms aluminum through argon revisited
-
DOI 10.1063/1.1367373
-
Dunning, T. H., Jr.; Peterson, K. A.; Wilson, A. K. Gaussian Basis Sets for Use in Correlated Molecular Calculations. X. The Atoms Aluminum through Argon Revisited J. Chem. Phys. 2001, 114, 9244-9253 (Pubitemid 32535594)
-
(2001)
Journal of Chemical Physics
, vol.114
, Issue.21
, pp. 9244-9253
-
-
Dunning Jr., T.H.1
Peterson, K.A.2
Wilson, A.K.3
-
11
-
-
36449006587
-
Gaussian Basis Sets for Use in Correlated Molecular Calculations. V. Core-Valence Basis Sets for Boron through Neon
-
Woon, D. E.; Dunning, T. H., Jr. Gaussian Basis Sets for Use in Correlated Molecular Calculations. V. Core-Valence Basis Sets for Boron through Neon J. Chem. Phys. 1995, 103, 4572-4585
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 4572-4585
-
-
Woon, D.E.1
Dunning, T.H..Jr.2
-
12
-
-
33746832843
-
Basis-Set Extrapolation Techniques for the Accurate Calculation of Molecular Equilibrium Geometries using Coupled-Cluster Theory
-
Heckert, M.; Kállay, M.; Tew, D. P.; Klopper, W.; Gauss, J. Basis-Set Extrapolation Techniques for the Accurate Calculation of Molecular Equilibrium Geometries using Coupled-Cluster Theory J. Chem. Phys. 2006, 125, 044108
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 044108
-
-
Heckert, M.1
Kállay, M.2
Tew, D.P.3
Klopper, W.4
Gauss, J.5
-
13
-
-
44349110064
-
The Accuracy of Rotational Constants Predicted by High-Level Quantum-Chemical Calculations. I. Molecules Containing First-Row Atoms
-
Puzzarini, C.; Heckert, M.; Gauss, J. The Accuracy of Rotational Constants Predicted by High-Level Quantum-Chemical Calculations. I. Molecules Containing First-Row Atoms J. Chem. Phys. 2008, 128, 194108
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 194108
-
-
Puzzarini, C.1
Heckert, M.2
Gauss, J.3
-
14
-
-
36549092221
-
The Full CCSDT Model for Molecular Electronic Structure
-
Noga, J.; Bartlett, R. J. The Full CCSDT Model for Molecular Electronic Structure J. Chem. Phys. 1987, 86, 7041-7050
-
(1987)
J. Chem. Phys.
, vol.86
, pp. 7041-7050
-
-
Noga, J.1
Bartlett, R.J.2
-
15
-
-
0035880942
-
Higher excitations in coupled-cluster theory
-
DOI 10.1063/1.1383290
-
Kállay, M.; Surján, P. R. Higher Excitations in Coupled-Cluster Theory J. Chem. Phys. 2001, 115, 2945-2954 (Pubitemid 32796736)
-
(2001)
Journal of Chemical Physics
, vol.115
, Issue.7
, pp. 2945-2954
-
-
Kallay, M.1
Surjan, P.R.2
-
16
-
-
0033646286
-
Analytic Second Derivatives in High-Order Many-Body Perturbation and Coupled-Cluster Theories: Computational Considerations and Applications
-
Stanton, J. F.; Gauss, J. Analytic Second Derivatives in High-Order Many-Body Perturbation and Coupled-Cluster Theories: Computational Considerations and Applications Int. Rev. Phys. Chem. 2000, 19, 61-95
-
(2000)
Int. Rev. Phys. Chem.
, vol.19
, pp. 61-95
-
-
Stanton, J.F.1
Gauss, J.2
-
18
-
-
77955313978
-
Bonding in the Heavy Analogue of Hydrogen Cyanide: The Curious Case of Bridged HPSi
-
Lattanzi, V.; Thorwirth, S.; Halfen, D. T.; MÜck, L. A.; Ziurys, L. M.; Thaddeus, P.; Gauss, J.; McCarthy, M. C. Bonding in the Heavy Analogue of Hydrogen Cyanide: The Curious Case of Bridged HPSi Angew. Chem., Int. Ed. 2010, 49, 5661-5664
-
(2010)
Angew. Chem., Int. Ed.
, vol.49
, pp. 5661-5664
-
-
Lattanzi, V.1
Thorwirth, S.2
Halfen, D.T.3
Mück, L.A.4
Ziurys, L.M.5
Thaddeus, P.6
Gauss, J.7
McCarthy, M.C.8
-
19
-
-
77950961195
-
Quantum-Chemical Calculation of Spectroscopic Parameters for Rotational Spectroscopy
-
Puzzarini, C.; Stanton, J. F.; Gauss, J. Quantum-Chemical Calculation of Spectroscopic Parameters for Rotational Spectroscopy Int. Rev. Phys. Chem. 2010, 29, 273-367
-
(2010)
Int. Rev. Phys. Chem.
, vol.29
, pp. 273-367
-
-
Puzzarini, C.1
Stanton, J.F.2
Gauss, J.3
-
20
-
-
0000659503
-
Perturbation-dependent atomic orbitals for the calculation of spin-rotation constants and rotational g tensors
-
Gauss, J.; Ruud, K.; Helgaker, T. Perturbation-Dependent Atomic Orbitals for the Calculation of Spin-Rotation Constants and Rotational Tensors J. Chem. Phys. 1996, 105, 2804-2812 (Pubitemid 126573018)
-
(1996)
Journal of Chemical Physics
, vol.105
, Issue.7
, pp. 2804-2812
-
-
Gauss, J.1
Ruud, K.2
Helgaker, T.3
-
22
-
-
0011083499
-
Intermolecular Interactions from a Natural Bond Orbital, Donor-Acceptor Viewpoint
-
The corresponding calculations were performed at the CCSD/cc-pVTZ level using Gaussian 03 (; Gaussian 03, revision C.02; Gaussian, Inc.: Wallingford, CT, 2004) and the NBO 3.0 program by Weinhold et al
-
Reed, A. E.; L. A. Curtiss, L. A.; Weinhold, F. Intermolecular Interactions From a Natural Bond Orbital, Donor-Acceptor Viewpoint. Chem. Rev. 1988, 88, 899-926. The corresponding calculations were performed at the CCSD/cc-pVTZ level using Gaussian 03 (Frisch, M. J.; Gaussian 03, revision C.02; Gaussian, Inc.: Wallingford, CT, 2004) and the NBO 3.0 program by Weinhold et al.
-
(1988)
Chem. Rev.
, vol.88
, pp. 899-926
-
-
Reed, A.E.1
Curtiss, L.A.L.A.2
Weinhold, F.3
Frisch, M.J.4
-
24
-
-
0041395799
-
The Electronic Structure of Siloxyl Sulfide OSiS
-
Bhattacharyya, A. A.; Bhattacharyya, A.; Oleksik, J. J.; Turner, A. G The Electronic Structure of Siloxyl Sulfide OSiS Inorg. Chim. Acta. 1981, 53, L163-L164
-
(1981)
Inorg. Chim. Acta.
, vol.53
-
-
Bhattacharyya, A.A.1
Bhattacharyya, A.2
Oleksik, J.J.3
Turner, A.G.4
-
25
-
-
71549116080
-
Molecular Double-Bond Covalent Radii for Elements Li-E112
-
Pyykkö, P.; Atsumi, M. Molecular Double-Bond Covalent Radii for Elements Li-E112 Chem. - Eur. J. 2009, 15, 12770-12779
-
(2009)
Chem. - Eur. J.
, vol.15
, pp. 12770-12779
-
-
Pyykkö, P.1
Atsumi, M.2
-
26
-
-
36549093262
-
Dipole Moment Function of Carbonyl Sulfide from Analysis of Precise Dipole Moments and Infrared Intensities
-
Tanaka, K.; Tanaka, T.; Suzuki, I. Dipole Moment Function of Carbonyl Sulfide from Analysis of Precise Dipole Moments and Infrared Intensities J. Chem. Phys. 1985, 82, 2835-2844
-
(1985)
J. Chem. Phys.
, vol.82
, pp. 2835-2844
-
-
Tanaka, K.1
Tanaka, T.2
Suzuki, I.3
-
27
-
-
0347014444
-
Electrical Dipole Moments and Microwave Rotational Spectra of SiS
-
Hoeft, J.; Lovas, F. J.; Tiemann, E.; Törring, T. Electrical Dipole Moments and Microwave Rotational Spectra of SiS Z. Naturforsch. 1969, 24A, 1422-1423
-
(1969)
Z. Naturforsch.
, vol.24
, pp. 1422-1423
-
-
Hoeft, J.1
Lovas, F.J.2
Tiemann, E.3
Törring, T.4
-
28
-
-
36849106796
-
Electric Dipole Moment of SiO and GeO
-
Raymonda, J. W.; Muenter, J. S.; Klemperer, W. A. Electric Dipole Moment of SiO and GeO J. Chem. Phys. 1970, 52, 3458-3461
-
(1970)
J. Chem. Phys.
, vol.52
, pp. 3458-3461
-
-
Raymonda, J.W.1
Muenter, J.S.2
Klemperer, W.A.3
-
29
-
-
0041333508
-
Spectral-Line Survey Observation of IRC+10216 between 28 and 50 GHz
-
Kawaguchi, K.; Kasai, Y.; Ishikawa, S.-I.; Kaifu, N. A Spectral-Line Survey Observation of IRC+10216 Between 28 and 50 GHz Publ. Astron. Soc. Japan 1995, 47, 853-876
-
(1995)
Publ. Astron. Soc. Japan
, vol.47
, pp. 853-876
-
-
Kawaguchi, K.1
Kasai, Y.2
Ishikawa, S.-I.3
Kaifu, N.A.4
-
30
-
-
0035325448
-
The Cologne Database for Molecular Spectroscopy, CDMS
-
MÜller, H. S. P.; Thorwirth, S.; Roth, D. A.; Winnewisser, G. The Cologne Database for Molecular Spectroscopy, CDMS Astron. Astrophys. 2001, 370, L49-L52
-
(2001)
Astron. Astrophys.
, vol.370
-
-
Müller, H.S.P.1
Thorwirth, S.2
Roth, D.A.3
Winnewisser, G.4
-
31
-
-
0034363176
-
Microwave Spectra of 11 Polyyne Carbon Chains
-
McCarthy, M. C.; Chen, W.; Travers, M. J.; Thaddeus, P. Microwave Spectra of 11 Polyyne Carbon Chains Astrophys. J. Suppl. Ser. 2000, 129, 611-623
-
(2000)
Astrophys. J. Suppl. Ser.
, vol.129
, pp. 611-623
-
-
McCarthy, M.C.1
Chen, W.2
Travers, M.J.3
Thaddeus, P.4
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