| Year |
Title |
Altmetric |
| 2017
|
Synthesis, Linear, and Nonlinear Optical Properties of Phosphonato-Substituted Bithiophenes Derived from 2,2-Dimethyl-1,3-propanediol.
European Journal of Inorganic Chemistry.
2017:4077-4093.
2017
|
|
| 2014
|
Polymorphism in paracetamol: Evidence of additional forms IV and v at high pressure
2014
|
|
| 2013
|
Conformational analysis of retinoic acids: Effects of steric interactions on nonplanar conjugated polyenes
2013
|
|
| 2012
|
Syntheses, X-ray crystal structures, and optical, fluorescence, and nonlinear optical characterizations of diphenylphosphino-substituted bithiophenes
2012
|
|
| 2008
|
Determining the sp2/sp3 bonding concentrations of carbon films using X-ray absorption spectroscopy.
Canadian Journal of Physics.
86:1401-1407.
2008
|
|
| 2007
|
Analysis of charge distribution in excited states of substituted benzenes.
ACS National Meeting Book of Abstracts.
233:213-213.
2007
|
|
| 2007
|
Comparison of basis set superposition errors for cc-pVnZ and pc-n basis sets.
ACS National Meeting Book of Abstracts.
233:262-262.
2007
|
|
| 2007
|
Soft X-ray absorption and emission characterization of nanodiamond prepared by explosive detonation.
Diamond and Related Materials.
16:350-352.
2007
|
|
| 2006
|
X-ray absorption of nitrogen-doped amorphous carbon films for determining sp2/sp3 bonding concentrations
2006
|
|
| 2004
|
Solid-state amidization and imidization reactions in vapor-deposited poly(amic acid).
Journal of Polymer Science Part A: Polymer Chemistry.
42:5999-6010.
2004
|
|
| 2004
|
Ab initio predictions of the heats of formation of nitroprismanes..
ACS National Meeting Book of Abstracts.
228:U526-U526.
2004
|
|
| 2004
|
Testing the magnetism of polymerized fullerene.
Physical review B: Condensed matter and materials physics.
69.
2004
|
|
| 2003
|
Nonplanarity at Tri-coordinated Aluminum and Gallium: Cyclic Structures for X3Hnm (X = B, Al, Ga).
Journal of the American Chemical Society.
125:16397-16407.
2003
|
|
| 2003
|
AB initio studies of the reaction between peroxynitrite and carbon dioxide..
ACS National Meeting Book of Abstracts.
225:U767-U767.
2003
|
|
| 2003
|
Project-based molecular spectroscopy component in the undergraduate physical chemistry laboratory.
ACS National Meeting Book of Abstracts.
225:U341-U342.
2003
|
|
| 2001
|
Structural studies on conformationally defined 6-s-trans UAB retinoids
2001
|
|
| 2000
|
A theoretical study of B2Li6.
Chemical Physics Letters.
329:239-247.
2000
|
|
| 2000
|
Will an η3-Si3H3Ligand Form Sandwich Compounds with Main Group Elements? [J. Am. Chem. Soc.2000,122, 1725−1728]..
Journal of the American Chemical Society.
122:3799-3799.
2000
|
|
| 2000
|
Will an η3-Si3H3 ligand form sandwich compounds with main group elements?.
Journal of the American Chemical Society.
122:1725-1728.
2000
|
|
| 1999
|
Ab initio calculation of the heats of formation of nitrosamides: Comparison with nitramides
1999
|
|
| 1999
|
Theoretical studies of B2Lin (n = 1-4)
1999
|
|
| 1999
|
Computer applications in the undergraduate physical chemistry laboratory-II: Structure and bonding..
ACS National Meeting Book of Abstracts.
218:U308-U308.
1999
|
|
| 1999
|
Stability of Hyperlithiated Borides
1999
|
|
| 1998
|
Using mathcad to introduce physical chemistry undergraduates to geometry optimization by energy minimization..
ACS National Meeting Book of Abstracts.
215:U371-U372.
1998
|
|
| 1997
|
Theoretical Study of the Dimerization of Multiply-Bonded Aluminum-Nitrogen Compounds
1997
|
|
| 1996
|
Carbene rearrangements unsurpassed: Details of the C7H6 potential energy surface revealed.
Journal of Organic Chemistry.
61:7030-7039.
1996
|
|
| 1996
|
Ab initio and NMR study of peroxynitrite and peroxynitrous acid: Important biological oxidants.
The Journal of physical chemistry.
100:15087-15095.
1996
|
|
| 1996
|
Comparison of ab initio and density functional theory for alkali peroxynitrite: A highly correlated system with Hartree-Fock instability.
The Journal of physical chemistry.
100:6942-6949.
1996
|
|
| 1996
|
Ab Initio Study of Pernitric Acid: Comparison with Experimental Spectra.
The Journal of physical chemistry.
100:15731-15734.
1996
|
|
| 1996
|
Predicting physical properties of peroxynitrite by quantum mechanics.
Methods in Enzymology.
269:329-346.
1996
|
|
| 1995
|
Ab initio predictions of the lowest electronic states, structures vibrational frequencies of phenylphosphinidene.
Chemical Physics Letters.
246:59-65.
1995
|
|
| 1995
|
Ab initio studies of peroxynitrite anion-water complexes
1995
|
|
| 1995
|
Infrared absorption of cis- and trans-alkali-metal peroxynitrites (MOONO, M=Li, Na, and K) in solid argon.
Journal of Chemical Physics.
103:4026-4034.
1995
|
|
| 1994
|
Role of Conformation of Peroxynitrite Anion (ONOO-) with Its Stability and Toxicity.
Journal of the American Chemical Society.
116:4115-4116.
1994
|
|
| 1993
|
HP-4: the monoconjugate base from tetraphosphabicyclobutane. Evidence for an exo ground state conformation in the gas phase.
Chemical Physics Letters.
208:106-110.
1993
|
|
| 1993
|
The Nearly Octahedral Hexamethylsulfur and Hexamethylselenium Molecules: Lighter Counterparts to the Recently Synthesized Hexamethyltellurium.
Journal of the American Chemical Society.
115:4155-4158.
1993
|
|
| 1993
|
Methylphosphinidene (CH3P) and its rearrangement to phosphaethylene (CH2PH): Toward the observation of ground-state triplet CH3P.
The Journal of physical chemistry.
97:1872-1877.
1993
|
|
| 1992
|
Phenylnitrene: Energetics, Vibrational Frequencies, and Molecular Structures.
Journal of the American Chemical Society.
114:5349-5355.
1992
|
|
| 1992
|
The use of special coordinate axes in direct and semi-direct implementations of second-order perturbation theory, including the derivation of a horizontal recurrence relation.
Canadian Journal of Chemistry.
70:416-420.
1992
|
|
| 1992
|
Ammonia alane.
Journal of Chemical Physics.
96:5310-5317.
1992
|
|
| 1992
|
Oxywater (water oxide): New evidence for the existence of a structural isomer of hydrogen peroxide.
The Journal of physical chemistry.
96:9250-9254.
1992
|
|
| 1991
|
The prototypical zinc carbene and zinc carbyne molecules ZnCH2 and HZnCH: Triplet electronic ground states.
Journal of the Chemical Society, Chemical Communications.
621-622.
1991
|
|
| 1991
|
Chlorogallanes (GaClH2, GaCl2H, and GaCl3) and Their Dimer Isomers
1991
|
|
| 1991
|
Do the Vinyl Isomers of C2H2Cl+ and C2H2Br+ Exist?.
Journal of the American Chemical Society.
113:7147-7151.
1991
|
|
| 1991
|
AN INVESTIGATION OF MOLECULAR-IONS DERIVED FROM TETRAPHOSPHORUS (P4).
ACS National Meeting Book of Abstracts.
201:9-PHYS.
1991
|
|
| 1991
|
ON THE NATURE OF THE PHOSPHORUS-CARBON BOND IN METHYLENEPHOSPHONIUM IONS.
ACS National Meeting Book of Abstracts.
201:166-PHYS.
1991
|
|
| 1991
|
WHAT IS THE PREDOMINANT INTERMEDIATE IN THE PHOTOLYSIS OF PHENYL AZIDE - PHENYLNITRENE, AZEPINE OR THE CYANOCYCLOPENTADIENYL RADICAL.
ACS National Meeting Book of Abstracts.
201:173-PHYS.
1991
|
|
| 1991
|
New variations in two-electron integral evaluation in the context of direct SCF procedures.
Chemical Physics.
150:163-171.
1991
|
|
| 1991
|
Structure and energetics of the lowest 1A1 and 1B1 states of dichlorocarbene.
Journal of Chemical Physics.
94:2063-2067.
1991
|
|
| 1990
|
The triphosphorus anion (P3-): A near degeneracy between equilateral triplet and linear singlet electronic states.
Chemical Physics Letters.
166:303-306.
1990
|
|
| 1990
|
An assessment for the full coupled cluster method including all single, double, and triple excitations: The diatomic molecules LIH, Li2, BH, LiF, C2, BeO, CN+, BF, NO+, and F2.
Journal of Chemical Physics.
92:568-573.
1990
|
|
| 1990
|
Application of the GAPT Population Analysis to Some Organic Molecules and Transition Structures.
Journal of the American Chemical Society.
112:4183-4186.
1990
|
|
| 1990
|
Classical and nonclassical forms of the vinyl cation: A coupled cluster study.
Journal of Chemical Physics.
92:3653-3658.
1990
|
|
| 1990
|
Structure and Energetics of C2H4Br+: Ethylenebromonium Ion vs Bromoethyl Cations.
Journal of the American Chemical Society.
112:8260-8265.
1990
|
|
| 1990
|
Vinylidene: The Final Chapter@.
Journal of the American Chemical Society.
112:8714-8719.
1990
|
|
| 1989
|
Structures, Energetics, and Vibrational Frequencies of the Silicon and Germanium Dichlorides and Dibromides and Their Dimers
1989
|
|
| 1989
|
Ab initio force constants and the reassignment of the vibrational spectra of all-trans-and all-cis-1,3,5,7-octatetraene.
The Journal of physical chemistry.
93:2341-2347.
1989
|
|
| 1989
|
Silaketene: A product of the reaction between silylene and carbon monoxide?.
Journal of Chemical Physics.
90:1031-1035.
1989
|
|
| 1989
|
Sodium Pentaphosphacyclopentadienide (NaP5) and the Pentaphosphacyclopentadienide Ion (P 5⊖) : Theoretical Predictions of Molecular Structures, Infrared and Raman Spectra
1989
|
|
| 1989
|
The reaction of methane with molecular oxygen: A semiquantitative estimate of the activation energy.
Journal of Chemical Physics.
90:6391-6394.
1989
|
|
| 1989
|
Vinylidene radical cation: A sizable barrier to unimolecular rearrangement to the acetylene radical cation.
The Journal of physical chemistry.
93:7560-7562.
1989
|
|
| 1988
|
UHF natural orbitals for defining and starting MC-SCF calculations.
Journal of Chemical Physics.
88:4926-4933.
1988
|
|
| 1985
|
Direct inversion in the iterative subspace (DIIS) optimization of open-shell, excited-state, and small multiconfiguration SCF wave functions.
Journal of Chemical Physics.
84:5728-5734.
1985
|
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