نمایش نتایج جستجو برای
نام مجله: Structural Chemistry
موارد یافت شده: 53
1 - Presentation of the simple and accurate models for estimating the individual hydrogen bond energies of Watson–Crick base pairs (چکیده)2 - Theoretical introduction and design of Si/N catalysts as efficient reducing agents in CO2 hydroboration by planar Si/N π-conjugated molecules (چکیده)
3 - Structural differences/similarities of diastereotopic groups in three new chiral phosphoramides (چکیده)
4 - Conformational analysis of two new organotin(IV) structures completed with a CSD survey (چکیده)
5 - The reactivity enhancement in Diels–Alder cycloaddition of 1,3-diene by cation encapsulation to C60: a computational insight (چکیده)
6 - Conformational flexibility in amidophosphoesters: a CSD analysis completed with two new crystal structures of (C6H5O)2P(O)X [X = NHC7H13 and N(CH2C6H5)2] (چکیده)
7 - Performance studies of CO2 transformation to methanol by zwitterionic indenylammonium derivatives as a new class of carbon-centered organocatalysts (چکیده)
8 - The synergistic co-operation of N—H...O=P hydrogen bonds and C—H...OX weak intermolecular interactions (X is =P or —C) in the (CH3O)2P(O)(NH–NHC6F5) amidophosphoester: a combined X-ray crystallographic and theoretical study (چکیده)
9 - An inorganic–organic hybrid supramolecular framework based on the γ-[Mo8O26]4− cluster and cobalt complex of aspartic acid: X-ray structure and DFT study (چکیده)
10 - Water-gas-shift reaction over nickel catalysts: DFT studies and kinetic modeling (چکیده)
11 - A survey of interactions in crystal structures of pyrazine-based compounds (چکیده)
12 - Two single-enantiomer amidophosphoesters: a database study on the chirality of (O)2P(O)(N)-based structures (چکیده)
13 - A combined X-ray crystallography and theoretical study of N—H…OX (X is ═P and —C) hydrogen bonds in two new structures with a (C—O)2(N)P(═Y)(Y is O and S) skeleton (چکیده)
14 - Evaluation of N—H···S and N—H···π interactions in O,Oʹ-diethyl N-(2,4,6-trimethylphenyl)thiophosphate: a combination of X-ray crystallographic and theoretical studies (چکیده)
15 - Surface-grafted lanthanoid complexes of the tungstosilicate polyanion [SiW12O40]4-: a synthetic, structural and computational investigation (چکیده)
16 - Chiral one-dimensional hydrogen-bonded architectures constructed from single-enantiomer phosphoric triamides (چکیده)
17 - A novel tubular hydrogen-bond pattern in a new diazaphosphole oxide: a combination of X-ray crystallography and theoretical study of hydrogen bonds (چکیده)
18 - The Structural Study of [2-Cl-C6H4C(O)NH]P(O)[NHC6H4-4-CH3]2 (چکیده)
19 - Extensive analysis of N—H…O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study (چکیده)
20 - Analysis of P–O–C, P–S–C and P–O–P angles: a database survey completed with four new X-ray crystal structures (چکیده)
21 - A theoretical study on the efficiency and role of guanidines-based organic superbases on carbon dioxide utilization in quinazoline-2,4(1H, 3H)-diones synthesis (چکیده)
22 - Density functional efficiency in the calculations of vibrational frequencies and molecular structure of β- diketones (چکیده)
23 - Density functional theory study of the regio- and stereoselectivity of 1,3-dipolar cycloaddition reactions between 2-ethylthio-4- phenyl-1-azetin and some substituted nitrile oxides (چکیده)
24 - The first phosphoramide–mercury(II) complex with a Cl2Hg–OP[N(C)(C)]3 segment (چکیده)
25 - Syntheses and structures of four new mixed-amide phosphoric triamides (چکیده)
26 - INTRAMOLECULAR-PROTON TRANSFER, EXPERIMENTAL AND THEORETICAL CHARACTERIZATION OF 3,3-DIHYDROXY-4,4-[4,4-DIPHENYLMETHANEBIS (NITRILOMETHYLIDYNE)]-BIS-PHENOL (چکیده)
27 - Hirshfeld surface analysis of two new phosphorothioic triamide structures (چکیده)
28 - (2-Aminopyrimidine- κ N 1 )aqua(pyridine-2,6-dicarboxylato- κ 3 O 2 , N,O 6 )copper(II): X-ray and DFT calculated structure (چکیده)
29 - A new phosphorothioic triamide structure: P(S)[NHCH2C6H5]3 (چکیده)
30 - Synthesis, molecular structure, spectroscopic investigations and computational studies of (E)-1-(4-(4-(diethylamino)-2- hydroxybenzylideneamino)phenyl)ethanone (چکیده)
31 - Two new thiophosphoramide structures: N,N',N"-tricyclohexylphosphorothioic triamide and O,O'-diethyl (2-phenylhydrazin-1-yl)thiophosphonate (چکیده)
32 - Three new phosphoric triamides with a [C(O)NH]P(O)[N(C)(C)]2 skeleton: a database analysis of C—N—C and P—N—C bond angles (چکیده)
33 - A DFT study of associative and dissociative chemical adsorption of DMMP onto SnO2(110) surface nano-cluster (چکیده)
34 - Experimental and theoretical characterization of N,N′-bis(2,4- dihydroxybenzylidene)-1,2-diaminobenzene schiff base and its Cu(II) complex (چکیده)
35 - Hirshfeld surface analysis of the 1,100 0 -(ethane-1,2-diyl)dipyridinium dication in two new salts: perchlorate and peroxodisulfate (چکیده)
36 - 3,3′dihydroxy-4,4′-[1,2-cyclohexanediyl-bis(nitrilomethylidyne)]-bis-phenol schiff-base and its Mn(II) complex: Synthesis, experimental, and theoretical characterization (چکیده)
37 - Two new XP(O)[NHC(CH3)3]2 phosphoramidates, with X = (CH3)2N and [(CH3)3CNH]2P(O)(O). Corrigendum (چکیده)
38 - New rac-XP(O)(OC6H5)(NHC6H4-p-CH3) [X = N(CH3)(cyclo-C6H11) and NH(C3H5)] and rac-(C6H5CH2NH)-P(O)(OC6H5)(NH-cyclo-C6H11) mixed-amide phosphinates (چکیده)
39 - catena-Poly[[di-miu2-aqua-hexaaquabis(miu3-4-oxidopyridine-2,6-dicarboxylato)trimanganese(II)] trihydrate]: a new one-dimensional coordination polymer based on a trinuclear MnII complex of chelidamic acid (چکیده)
40 - A CSD analysis on H-bond patterns from phosphoric triamides to their coordination compounds, new complexes with (tBuNH)3PO ligand (PO): Cl2Ph2Sn(PO)2 and Fe(PO)2(NO3)3 (چکیده)
41 - A novel amido–pyrophosphate MnII chelate complex with the synthetic ligand O{P(O)[NHC(CH3)3]2}2 (L): [Mn(L)2{OC(H)N(CH3)2}2]Cl2.2H2O (چکیده)
42 - N,N′-dipyridoxyl(ethylenediamine) schiff-base ligand and its square-pyramidal copper(II) complex: Synthesis, experimental and theoretical characterization (چکیده)
43 - Three new [XC(O)NH]P(O)[N(CH2-C6H5)2]2 phosphoric triamides (X = CClF2, 3-F-C6H4 and 3,5-F2-C6H3): a database analysis of tertiary N-atom geometry in compounds with a C(O)NHP(O)[N]2 core (چکیده)
44 - Two new XP(O)[NHC(CH3)3]2 phosphoramidates, with X = (CH3)2N and [(CH3)3CNH]2P(O)(O) (چکیده)
45 - The double H-atom acceptability of the P═O group in new XP(O)(NHCH2C6H4-2-Cl)2 phosphoramidates [X = C6H5O– and CF3C(O)NH–]: a database analysis of compounds having a P(O)(NHR) group (چکیده)
46 - Decaaquabis(μ3-4-hydroxypyridine-2,6-dicarboxylato)bis(4-hydroxypyridine-2,6-dicarboxylato)tetramanganese(II) 3.34-hydrate: a new three-dimensional open metal-organic framework based on a tetranuclear MnII complex of chelidamic acid and undecameric stitching water clusters (چکیده)
47 - Syntheses, crystal, molecular structures, and solution studiesof Cu(II), Co(II), and Zn(II) coordination compounds containing pyridine-2,6-dicarboxylic acid and 1,4-pyrazine-2,3-dicarboxylic acid: comparative computational studies of Cu(II) and Zn(II) complexes (چکیده)
48 - Different cyclic motifs in phosphoric triamides containing a C(O)NHP(O)(NH)2 skeleton and an R22(10) graph set in three new compounds: a database analysis of hydrogen-bond strengths based on motifs (چکیده)
49 - Synthesis, X-ray crystallography characterization, vibrational spectroscopy, and DFT theoretical studies of a new organic–inorganic hybrid material (چکیده)
50 - The hydrogen-bonded dimers of N,N\',N (چکیده)
51 - Different orientations of C=O versus P=O in P(O)NHC(O) skeleton: the first study on an aliphatic diazaphosphorinane with a gauche orientation (چکیده)
52 - Syntheses, crystal, and molecular structures of Mn(II), Zn(II), and Ce(III) compounds and solution studies of Mn(II), Ni(II), Cu(II), Zn(II), Cd(II), and Ce(III) compounds obtained from a suitable proton transfer compound containing bda and pydcH2 (bda 5 butane-1,4-diamine; pydcH2 5 pyridine-2,6-dicarboxylic acid) (چکیده)
53 - Synthesis, crystal structure of new linear trinuclear isovalence Co(II)([Co3(H-L)2(L)2]), and visualizing intermolecular interactions with Hirshfeld surface method (چکیده)
