Dornhaus, F.; Bolte, M.; Lerner, H.-W.; Wagner, M.
A comparative study of chalcogenated phosphanylborohydrides [EPR2BH3]- (R = Ph, tBu) and triorganophosphane chalcogenides EPPh2CH3 (E = O, S, Se, Te).
European Journal of Inorganic Chemistry (2006), (24), 5138-5147

  Langer, R.; Shi, W.; Rothenberger, A.
Copper-mediated cleavage of disulfides by tertiary phosphines: a new route to As-S anions.
Dalton Transactions (2006), (37), 4435-4437

  Love, I.
Characteristics of Multiple N,O Bonds
J PHYS CHEM A 110 10507-10512, (2006).

  Zabalov, M. V.; Karlov, S. S.; Zaitseva, G. S.; Lemenovskii, D. A.
The molecular and electronic structure features of silatranes, germatranes, and their carbon analogs
RUSS CHEM BULL 55 464-476, (2006).

  Ortiz, Fernando Lopez
The chemistry of phosphazenes. Synthetic applications of Ca-lithiated derivatives
Current Organic Synthesis 3 187-214, (2006).

  Imamura, Y.; K., Kazuyuki; M., Tsutomu; Miyoshi, K.
Reactions of Ring-Slipped Iron Complexes Derived from P(:S)Ph-Bridged [1]Ferrocenophane: Synthesis of Bis(half-sandwich) Heterodinuclear Complexes
Organometallics 25 2301-2307, (2006).

  Tyrrell, J.
Use of Oxidation-State Differences and Molecular Orbitals to Interpret Bonding in the Series ONXYZ (X, Y, Z = H, F, Cl), HNNX3, HNNX2Y, and HNNXY2 (X, Y = H, F) and OCX3-, OCX2Y-, and OCXY2- (X, Y = H, F)
J CHEM PHYS A 110 228-233, (2006).

  Ibdah, A.; Espenson, J.H.; Jenks, W.S.
Computational Study of Sulfur Atom-Transfer Reactions from Thiiranes to ER3 (E = As, P; R = CH3, Ph)
INORG CHEM 44 8426-8432, (2005).

  Lange, A.; Kubicki, M.M.; Wachter, J.; Zabel, M.
Chemistry of Transition-Metal Clusters with Mixed Sb/S Ligands: Evidence for a Terminal Sb:S Double Bond in Cp3Rh3Sb2S5 (Cp = C5Me5)
INORG CHEM 44 7328-7332, (2005).

  Froeyen, M.; Herdewijn, P.
Correct Bond Order Assignment in a Molecular Framework Using Integer Linear Programming with Application to Molecules Where Only Non-Hydrogen Atom Coordinates Are Available
Journal of Chemical Information and Modeling 45 1267-1274, (2005).

  Sundberg MR, Paavola S, Vinas C, Teixidor F, Uggla R, Kivekas R
Plasticity of the five-membered chelate ring in [PdCL2(1,2-(PR2)(2)-,12-C2B10H10)] complexes (R = H or Pr-i)
INORG CHIM ACTA 358 2107-2111, (2005).

  Lopez CS, Faza AN, Cossio FP, York DM, de Lera AR
Ellipticity: A convenient tool to characterize electrocyclic reactions
CHEM-EUR J 11 1734-1738, (2005).

  Lobring KC, Check CE, Boggs ML, Keating PR, Sunderlin LS
Bond strengths in POCl3-, POCl2-, and PSCl2-
INT J MASS SPECTROM 241 75-81, (2005).

  Lee CR, Tang TH, Chen L, Wang CC, Wang Y
Topological analysis of charge density in heptasulfur imide (S7NH) from isolated molecule to solid
J PHYS CHEM SOLIDS 65 1957-1966, (2004).

  Matano Y, Nomura H, Hisanaga T, Nakano H, Shiro M, Imahori H
Diverse structures and remarkable oxidizing ability of triarylbismuthane oxides. Comparative study on the structure and reactivity of a series of triarylpnictogen oxides Record contains structures
ORGANOMETALLICS 23 5471-5480, (2004).

  Kocher N, Leusser D, Murso A, Stalke D
Metal coordination to the formal P=N bond of an iminophosphorane and charge-density evidence against hypervalent phosphorus(v)
CHEM-EUR J 10 3622-3631, (2004).

  Murso A, Stalke D
Polymorphism of Ph2P(CH2Py)(NSiMe3) and the Staudinger reaction of Ph2P(CH2Py) with hydrogenazide
Z ANORG ALLG CHEM 630 1025-1030, (2004).

  Leusser D, Henn J, Kocher N, Engels B, Stalke D
S=N versus S+-N-: An experimental and theoretical charge density study
J AM CHEM SOC 126 1781-1793, (2004).

  Moustafa H
Electronic structure and barrier to internal rotation of sulfenamide, (N,N-disubstituted and N-aryl) benzsulfenamide and N-aryl methylsulfenamide derivatives
PHOSPHORUS SULFUR 178, 2581-2595, (2003).

  Check CE, Lobring KC, Keating PR, et al.
Effect of substituents on the strength of hypervalent phosphorus-halogen bonds
J PHYS CHEM A 107, 8961-8967, (2003).

  Checinska L, Kudzin ZH, Malecka M, et al.
Physical image vs structure relation, part 10. [(Diphenoxyphosphinyl)methylidene]triphenylphosphoran - the double P+-stabilised carbanion: a crystallographic, computational and solution NMR comparative study on the ylidic bonding
TETRAHEDRON 59, 7681-7693, (2003).

  Bryce DL, Eichele K, Wasylishen RE
An O-17 NMR and quantum chemical study of monoclinic and orthorhombic polymorphs of triphenylphosphine oxide
INORG CHEM 42, 5085-5096, (2003).

  Ouvrard C, Le Questel JY, Berthelot M, et al.
Halogen-bond geometry: a crystallographic database investigation of dihalogen complexes
ACTA CRYSTALLOGR B 59, 512-526, (2003).

  Lee CR, Tang TH, Chen L, et al.
A combined experimental and theoretical electron density study of intra- and intermolecular interactions in thiourea S,S-dioxide
CHEM-EUR J 9, 3112-3121, (2003).

  Ozeki H, Saito S
Microwave spectra of HPO and DPO: molecular structure
J MOL SPECTROSC 219, 305-312, (2003).

  Chesnut DB
Atoms-in-molecules and electron localization function study of the phosphoryl bond
J PHYS CHEM A 107, 4307-4313, (2003).

  Mitrasinovic PM
Sharing analysis of the behavior of electrons in some simple ylides
CHEM PHYS 286, 1-13, (2003).

  Lyssenko KA, Grintselev-Knyazev GV, Antipin MY
Nature of the P-O bond in diphenylphosphonic acid: experimental charge density and electron localization function analysis
MENDELEEV COMMUN, 128-130, (2002).

  Mitrasinovic PM
Qualitative characterization of the P-C bonds in ylides of phosphorus
J PHYS CHEM A 106, 7026-7033, (2002).

  Wesolowski SS, Brinkmann NR, Valeev EF, Schaefer HF, Repasky MP, Jorgensen WL
Three- versus four-coordinate phosphorus in the gas phase and in solution: Treacherous relative energies for phosphine oxide and phosphinous acid
J. Chem. Phys.116, 112-122 (2002).

  Molina, J.M.; Dobado, J.A.; Daza, M.C.; Villaveces, J.L.
Structure and bonding of weak hydrogen peroxide complexes
THEOCHEM 580, 117-126, (2002).

  Muchall HM
The sulfur-oxygen bond in sulfinylamines and sulfinylhydrazines: an AIM study
ARKIVOC 2, U86-U90 Part 12, (2001).

  Typke V, Dakkouri M
The force field and molecular structure of dimethylsulfoxide from spectroscopic and gas electron diffraction data and ab initio calculations
J. Mol. Structure 599, 177-193, (2001).

  Wang ZX, Schleyer PvR
Are the six-membered lambda(5)-phosphorins aromatic or ylidic?
Helv. Chim. Acta 84, 1578-1600, (2001).

  Akiba KY, Nadano R, Satoh W, Yamamoto Y, Nagase S, Ou ZP, Tan XY, Kadish KM
Synthesis, structure, electrochemistry, and spectroelectrochemistry of hypervalent Phosphorus(V) octaethylporphyrins and theoretical analysis of the nature of the PO bond in P(OEP)(CH2CH3)(O)
Inorg. Chem. 40, 5553-5567, (2001).

  Cubbage, J.W.; Guo, Y.; McCulla, R.D.; Jenks, W.S.
Thermolysis of Alkyl Sulfoxides and Derivatives: A Comparison of Experiment and Theory
J ORG CHEM 66, 8722-8736 (2001).

  Dominguez ZJ, Cortez MT, Gordillo B
Conformational analysis of highly hindered thiophosphoramidates
Tetrahedron57, 9799-9812 (2001).

  Minkin-VI Minyaev-RM
Cyclic Aromatic Systems with Hypervalent Centers
Chem. Rev.101, 1247-1265 (2001).

  Popelier, P. L. A.; Aicken, F. M.; O'Brien, S. E.
Atoms in molecules.
Chemical Modelling (2000), 1 143-198

  Molina JM, Dobado JA
The three-center-four-electron (3c-4e) bond nature revisited. An atoms-in-molecules theory (AIM) and ELF study
THEOR CHEM ACC105, 328-337 (2001).

  Ponec-R Roithova-J
Domain-Averaged Fermi Holes - A New Means of Visualization of Chemical-Bonds - Bonding in Hypervalent Molecules
Theor. Chem. Acc.105, 383-392 (2001).

  Molina JM, El-Bergmi R, Dobado JA, et al.
On the aromaticity and Meisenheimer rearrangement of strained heterocyclic amine, phosphine, and arsine oxides
J ORG CHEM65, 8574-8581 (2000).

  Kovacs-A Frenking-G
Stability and Bonding Situation of Electron-Deficient Transition-Metal Complexes - Theoretical-Study of the Co-Labilizing Effect of Ligands L in (W(Co)(5)L) (L = C2H2, NCH, N-2, C2H4, OH2, SH2, NH3, F-, Cl-, OH-, SH-) and (W(Co)(4)L)(2-) (L2- = O2C2H22-, S2C2H22-) and the Structure of the 16-Valence-Electron Complexes (W(Co)(4)L) and (W(Co)(3)L)(2-)
Organometallics20, 2510-2524 (2001).

  Rozas-I Alkorta-I Elguero-J
Behavior of Ylides Containing N, O, and C Atoms as Hydrogen-Bond Acceptors
J. Am. Chem. Soc.122, 11154-11161 (2000).

  Daza MC, Dobado JA, Molina JM, et al.
Structure and bonding of H2O2···X complexes with (X = NO+, CN-, HCN, HNC, CO)
PHYS CHEM CHEM PHYS 2, 4089-4094 (2000).

  Dobado, J.A.; Martinez-Garcia, H.; Molina, J.; Sundberg, M.R.
N-O and P-O bond nature in hypervalent compounds: Is Bader analysis basis-set and geometry independent?
Progress in Theoretical Chemistry and Physics Vol 2, 337-353 (2000).

  Kuivalainen-T Elbahraoui-J Uggla-R Kostiainen-R Sundberg-MR
Correlation of the P-31 NMR Chemical-Shift with the Position of Bond Critical-Points in Some Phosphorothionates
J. Amer. Chem. Soc. 122, 8073-8074 (2000).

  Diefenbach-A Bickelhaupt-FM Frenking-G
The Nature of the Transition Metal-Carbonyl Bond and the Question About the Valence Orbitals of Transition-Metals - A Bond-Energy Decomposition Analysis of TM(Co)(6)(Q) (Tmq = HF--(2-), Ta-, W, Re+, Os2+, Ir3+)
J. Amer. Chem. Soc. 122, 6449-6458 (2000).

  Chesnut D.B.
An Electron Localization Function Investigation of Bonding in Some Simple 4-Coordinate Nitrogen and Phosphorus-Compounds
Heteroatom Chem. 11, 341-352 (2000).

  Dobado JA, Molina JM, Uggla R, et al.
Multiple bonding in four-coordinated titanium(IV) compounds
INORG CHEM 39, 2831-2836 (2000).

  Dobado JA, Martinez-Garcia H, Molina JM, et al.
Chemical bonding in hypervalent molecules revised. 3. Application of the atoms in molecules theory to Y3X-CH2 (X = N, P, or As ; Y = H or F] and H2X-GH(2) (X = O, S, or Se) ylides
J AM CHEM SOC 122, 1144-1149 (2000).

  El-Bergmi R, Dobado JA, Portal D, et al.
Stabilization in neutral bicyclic sulfoxide compounds
J COMPUT CHEM 21, 322-327 (2000).

  Chesnut D.B.
An ab initio study of the comparative stabilities of the simple phosphine oxide tautomers
Heteroatom Chem. 11, 73-80 (2000).

  Czerw-M Goldman-AS Kroghjespersen-K
Addition of Ammonia to AlH₃ and BH₃ - Why Does Only Aluminum Form 2/1 Adducts
Inorganic Chem. 39, 363-369 (2000).

  Cuevas-G
Hydrogen-Bond Type Contributions to the Anomeric Effect in S-C-P(O) and S-C-P(S) Segments
J. Amer. Chem. Soc. 122, 692-698 (2000).

  Frenking-G Frohlich-N
The Nature of the Bonding in Transition-Metal Compounds
Chem. Rev. 100, 717-774 (2000).

  Popelier, P. L. A.; Aicken, F. M.; O'Brien, S. E.
Atoms in molecules
Chemical Modelling 1, 143-198 (2000).

  Dobado JA, Martinez-Garcia H, Molina JM
Theoretical bonding description of alkylidene chalcogen (O, S, Se) difluorides (H2C=XF2): Planar versus bent conformations
INORG CHEM 38, 6257-6260 (1999).

  Denmark-SE, Su-XP
Solid-State and Solution Structural Studies of Chiral Phosphoramide-Tin Complexes Revelant to lewis Base-Catalyzed Aldol Reactions.
Tetrahedron 55, 8727-8738 (1999).

  Dobado JA, Molina J
Adenine-hydrogen peroxide system: DFT and MP2 investigation
J PHYS CHEM A103, 4755-4761 (1999).

  Daza MC, Dobado JA, Molina JM, et al.
Basis set superposition error-counterpoise corrected potential energy surfaces. Application to hydrogen peroxide···X (X=F-, Cl-, Br-, Li+, Na+) complexes
J CHEM PHYS110, 11806-11813 (1999).

  Dobado JA, Martinez-Garcia H, Molina JM, et al.
Chemical bonding in hypervalent molecules revised. 2. Application of the atoms in molecules theory to Y(2)XZ and Y(2)XZ(2) (Y = H, F, CH3; X = O, S, Se; Z = O, S) compounds
J. Amer. Chem. Soc.121, 3156-3164 (1999).

  Chesnut-D.B., Savin-A.
The electron localization function (ELF) description of the PO bond in Phosphine Oxide
J. Amer. Chem. Soc.121, 2335-2336 (1999).

  Alkorta-I Elguero-J
Theoretical Study of Strong Hydrogen Bonds between Neutral Molecules: The Case of Amine Oxides and Phosphine Oxides as Hydrogen Bond Acceptors
J. Phys. Chem. A 103, 272-279 (1999).

  Dobado JA, Uggla R, Sundberg MR, et al.
On the bonding isomerism in three-co-ordinated copper(I) thiocyanates
J CHEM SOC DALTON 489-496 (1999).

  Bettinger-HF Schleyer-PV Schaefer-HF
NF₅- Viable or Not
J. Amer. Chem. Soc.120, 11439-11448 (1998).

  Ren-JH Workman-DB Squires-RR
Gas-Phase Negative-Ion Chemistry of Lewis Acid-Base Complexes
J. Amer. Chem. Soc.120, 10511-10522 (1998).