Quantum chemical calculations

../quant1.html08.12.2014  Mary-go-round rearrangements
../quant1.html08.12.2014  Cation C5H5CH2+
../quant1.html08.12.2014  Cation C5H5CCH2+
../quant1.html08.12.2014  Cation C3H3CH2+
../quant1.html08.12.2014  Cation C3Me2HCMe2+
../quant1.html08.12.2014  Cation C7H7CH2+
../quant1.html08.12.2014  Cation C7H7CMe2+
../quant1.html08.12.2014  Cation C7H7CMe2+
../quant1.html08.12.2014  Nice Merry-Go-Round of Trisilyl-Substituted Vinyl Cation
../quant2.html08.12.2014   Маятниковая перегруппировка катиона C10H6C3Me3CexoMeH+
../quant2.html08.12.2014   Маятниковая перегруппировка катиона C10H6C3Me3CendoMeH+
../quant2.html08.12.2014   Эпимеризация катиона C10H6C3Me3CMeH+
../quant3.html08.12.2014   Циклопропил-карбинильная перегруппировка катиона C4H7+
../quant4.html08.12.2014  Инверсия цикла в циклогексане
../quant4.html08.12.2014   Инверсия цикла в катионе C3Me2HCMe2+
../quant4.html08.12.2014  Инверсия цикла в катионе C3H3CH2+
../quant5.html08.12.2014   Рацемизация камфена. Механизм 32exoMe.
../quant5.html08.12.2014   Рацемизация камфена. Механизм WM-62H-WM.
../quant6.html08.12.2014   Вращение фенила в 9-фенилантрацене
../quant6.html08.12.2014   Вращение [4]гелицена на триптицене. Молекулярный "храповик"
../quant6.html08.12.2014  Вращение дибромметильной группы в пентабромдибромметилбензоле
../quant7.html08.12.2014   Back-side insertion of ethylene on ansa-zirconocene
../quant7.html08.12.2014   Front-side insertion of ethylene on ansa-zirconocene
../quant_C6R6.html08.12.2014   Isomerization of the "triangle" dication C6H62+
../quant_C6R6.html08.12.2014   Isomerization of the "triangle" dication C6Me62+
../quant_C8H8.html08.12.2014  Изомеризация syn-димера циклобутадиена
11-mer/29.10.2018  Conformational analysis of 3,3,5,5,7,7,9,9‐octamethylundecane
11-mer/29.10.2018  Cation radicals of 3,3,5,5,7,7,9,9‐octamethylundecane
11-mer/29.10.2018  Alternation of bond length in undecane chain in cation radicals of 3,3,5,5,7,7,9,9‐octamethylundecane
222/02.03.2016  Quadricyclane and ethene
222/02.03.2016  Quadricyclane and trichlorosilylethene
222/02.03.2016  Quadricyclane and bis(trichlorosilyl)ethene
222/02.03.2016  Quadricyclane and tris(trichlorosilyl)ethene
222/02.03.2016  Quadricyclane and tris(SiCl3)-R-ethene (R=SiCl3,SiMe3)
222/02.03.2016  Quadricyclane and SiR3-ethene (R = Me, F, Cl, Br)
222/02.03.2016  Quadricyclane and CR3-ethene (R = Me, F)
222/02.03.2016  Quadricyclane and SiMeCl2-ethene
222/02.03.2016  Quadricyclane and allene, tetrakis-SiCl3-allene
222/02.03.2016  Quadricyclane and 1,1-bis-SiCl3-allene
222/02.03.2016  Quadricyclane and acetylene
222/02.03.2016  Quadricyclane and mono- and bis-SiCl3-acetylene
222/02.03.2016  Quadricyclane and benzyne and tetrafluorinebenzyne
222/02.03.2016  Quadricyclane and SiMe3(SiCl3)2-ethenes
222/02.03.2016  Quadricyclane and R3-ethenes (R=SiMeCl2,SiMe2Cl)
222/02.03.2016  Quadricyclane and 1-(SiMe3)-1-(SiCl3)-ethylene
222/02.03.2016  Quadricyclane and perfluoropropene
222/02.03.2016  Quadricyclane and perfluorocyclohexene
222/02.03.2016  Quadricyclane and perfluoromethoxyethene
ArNO2/05.07.2018  Protonation of 1-Nitronaphthalene-AlCl3 complex
BCF/14.01.2020  Aryl rotation PES of tris(pentafluorophenyl)borane
Br/20.02.2018  Bromine clusters and associates
C15H16Br2O4S/08.12.2014  Вращение групп COOMe и SO2Ph в 6-эндо,7-эндо-дибром-6-экзо-метоксикарбонил-7-экзо-фенилсульфонил-норпинане
DCM-DCE/23.03.2017  Hydride and chloride abstracrion from DCM and DCE
DMAP/13.05.2020  Rotation in DMAP and its protonated forms
H_AlCl3/11.08.2021  Superelectrophilic activation by H+ vs. AlCl3
Komarov/26.11.2020  Cyclization of polyfluorinated carbocations
Makarov/08.12.2014  Conformers of H4_PPh3
Marsel/08.12.2014  Water catalysis of 1,5-OH shift
MeCN/08.12.2014  Interaction of MeCH with MeCN+H
MeCN/OBC/08.12.2014  Interaction of MeCH with MeCN+H
MeTCH/08.12.2014  Перегруппировки протонированного 1-метилтрицикло[4.2.0.02,7]гептана
MicrRev/08.12.2014  Concerning to the principle of microscopic reversibility
Morozov/31.01.2019  Conformational analysis of compound 7 and intramolecular 1,3-dipolar cycloaddition
Muller/08.12.2014  Nice Merry-Go-Round of Trisilyl-Substituted Vinyl Cation
N6/08.12.2014  N6 isomers
NO-inversion/30.07.2020  Conformational analysis and nitrogen inversion
NO-inversion/30.07.2020  Conformational analysis and nitrogen inversion in other alkoxyamine
NO-inversion/M/07.04.2019  PES
PES/Rzepa/H/05.03.2019  PES
PES/Rzepa/Na/13.03.2019  PES
PES/Rzepa/Na1/08.04.2019  PES
PES/Tantillo_JACS-2009/21.02.2019  PES of bisabolyl cation conformer
PES/Tantillo_JACS-2009/mPW1PW91/21.02.2019  PES
PES/Tantillo_NatureChem-2014/large/25.02.2019  PES
PES/Tantillo_NatureChem-2014/small/23.02.2019  PES
PES/dmitriy/25.04.2019  Conformational PES of bis-pyreno-benzene
PES/dmitriy/SA/23.04.2019  PES
PES/ivb/01.03.2019  PES
Pb/09.10.2019  Isomers of Pb2O4
Pb/09.10.2019  Isomers of Pb5O5
Ph-shift/08.12.2014  Rearrangement of 2a (MP2 method)
Ph-shift/08.12.2014  Rearrangement of 2a and conformations (DFT method)
Ph-shift/08.12.2014  Rearrangement of IIa into IVa
Ph3C/08.12.2014  Phenyl rotation in triphenylmethanol
Ph3C/08.12.2014  Phenyl rotation in triphenylmethyl cation
PhOH2+/22.11.2016  C4-protonated PhOH + 3H2O
SO2/08.12.2014  Protonation of 9,9,10-trimethylphenanthrenium cation
SO2/08.12.2014  Sulphinylic 9,9,10-trimethylphenanthrenium cations
SO2/08.12.2014  1,2-Me shift if sulphinylic 9,9,10-trimethylphenanthrenium cations
SeSi/28.04.2016  SiMe3-3,1,2,4-Benzothiaselenadiazines
TeI2/16.02.2020  PES of I-I=Te and I-Te-I
Yarovaya/28.06.2019  Conformational analysis of imine, spiro-intermediate and benzoxazole product (concerning Yarovaya's task)
allen/08.12.2014  Conformers and 1,2-shift of carbocations with allene-migrant
andreev/cytosine/08.12.2014  Nitrosonium complexes of cytosine
armilenyl/01.04.2021  Topology of PES (neato)
azide/08.12.2014  Azide-tetrazole tautomerism in 2-azido-4-(4-fluorophenyl)-6-phenylpyrimidine
binol/10.11.2016  Protonated BINOL
binol/10.11.2016  Diprotonated BINOL
binol/10.11.2016  Transition states of racemization of BINOL
binol/10.11.2016  Rotations in 1,1'-diprotonated BINOLs
binol77/31.10.2018  Conformational analysis of compound 14
binol77/15/20.11.2018  Conformational analysis of compound 15
binolSA/10.11.2016  Tautomerization of 2-naphthol-AlCl3 complex
binolSA/10.11.2016  C-Protonation of 2-naphthol-AlCl3 complexes CE and CZ
binolSA/10.11.2016  Reaction of 2-naphthol-AlCl3 complex with benzene
binolSA/10.11.2016  Binol-AlCl3 complexes
binolSA/10.11.2016  Protonated BINOL
binolSA/10.11.2016  Diprotonated BINOL
binolSA/10.11.2016  Protonated CO-tautomer of Binol-AlCl3 complex
binolSA/10.11.2016  Transition states of racemization of BINOL
binolSA/10.11.2016  Rotations in 1,1'-diprotonated BINOLs
bromination/10.07.2019  C6H6 + nBr2 ➙ C6H5Br + HBr + (n-1)Br2 (n = 1, 2, 3)
bromination/10.07.2019  With thermochemistry corrections
bromination/10.07.2019  C6H6 + Br2 PES
bromination/10.07.2019  C6H6 + 2Br2 PES
bromination/10.07.2019  C6H6 + 3Br2 PES
bromination/10.07.2019  Conformational analysis of 3,4,5,6-tetrabromocyclohexene
bromination/10.07.2019  Conformational analysis of 3,4,6-tribromocyclohexene
bromination/Al/30.07.2015  C6H6 + Br2 + AlBr3
bromination/Al/30.07.2015  C6H6 + 2 Br2 + AlBr3
bromination/PhH+Br2+HBr/03.07.2019  Is there a catalytic effect of HBr on the bromination of aromatics?
bromination/PhH+Br6/PhBr_8a/zip/02.04.2015  
bromination/PhH+Br6/additional/zip/02.04.2015  
bromination/PhH+Br6/zip/02.04.2015  C6H6 + 3Br2 PES
bromination/RRR/03.04.2015  H. Rzepa, Bromination of benzene
bromination/RRR/03.04.2015  C6H6 + 2Br2 PES
bromination/RRR/03.04.2015  C6H6 + 3Br2 PES
bromination/RRR_/03.04.2015  H. Rzepa, Bromination of benzene
bromination/RRR_/03.04.2015  C6H6 + 2Br2 PES
bromination/RRR_/03.04.2015  C6H6 + 3Br2 PES
bromination/Rzepa/16.02.2015  H. Rzepa, Bromination of benzene
bromination/Rzepa/16.02.2015  C6H6 + 2Br2 PES
bromination/Rzepa/16.02.2015  C6H6 + 3Br2 PES
bromination/Rzepa/simple/2Br2/16.02.2015  C6H6 + 2Br2 PES
bromination/Rzepa/simple/3Br2/16.02.2015  C6H6 + 3Br2 PES
bromination/zzz/24.04.2015  
bromination/zzz/C6H6Br4/24.04.2015  Conformational analysis of 3,4,5,6-tetrabromocyclohexene
bromination/zzz/PhH+1Br2_PES/24.04.2015  C6H6 + Br2 PES
bromination/zzz/PhH+2Br2_PES/24.04.2015  C6H6 + 2Br2 PES
bromination/zzz/PhH+3Br2_PES/24.04.2015  C6H6 + 3Br2 PES
bromination/zzz/PhH+nBr2_SEAr/24.04.2015  C6H6 + nBr2 ➙ C6H5Br + HBr + (n-1)Br2 (n = 1, 2, 3)
carborane/06.01.2021  Bromination of B12H122- dianion, CB11H12- anion and C2B10H12 carborane
carborane/06.01.2021  Bromination of closo-1,2-C2B10H12 carborane at 9-position with bromaine clusters nBr2 (n = 1-5)
carborane/06.01.2021  Bromination of closo-1,2-C2B10H12 carborane at 9-position with bromaine clusters 4Br2 and 5Br2. Transition states
cembrene/23.12.2014  Конформационный анализ цембрена
cembrene/old/08.12.2014  Конформационный анализ цембрена
current/08.12.2014  Ring current in arenonium ions. Hyperconjugation?
cyclohexadiene/12.05.2017  Rearrangements of protonated cylohexa-1,4-diene
cyclohexyl/04.10.2021  Ring contraction in secondary cyclohexyl cation
cyclooctadiene/27.02.2019  Rearrangements of protonated 1,5-cyclooctadiene
cyclooctadiene/ABC/27.02.2019  PES
cyclooctadiene/SA/part1/21.02.2019  PES
cyclooctadiene/SA/part2/19.02.2019  PES
cyclooctadiene/SA/part3/05.02.2019  PES
cyclooctadiene/SA/part4/05.02.2019  PES
cyclooctadiene/all/27.02.2019  Topology of PES (neato)
cyclooctadiene/part2/21.02.2019  PES
cyclooctadiene/part3/25.02.2019  PES
cyclooctadiene/part4/21.02.2019  PES
cyclooctadiene/test/23.03.2019  PES
cyclopentyne/10.12.2014  Is cyclopentyne an intermediate in a cycloaddition?
di-tmph/08.12.2014  Methyl shifts in 4,5,5,9,10,10-hexamethyl-4,9-dihydropyrene-4,9-bis(ylium). Synchronously or via intermediate?
dication/08.12.2014   Isomerization of the "triangle" dication C6H62+
dication/08.12.2014   Isomerization of the "triangle" dication C6Me62+
enol/08.12.2014  Keto-enol tautomerization of acetaldehyde
flat/08.12.2014  Плоская потенциальная яма в гомофеналенильном карбокатионе
flat/08.12.2014   Инверсия цикла в катионе C3Me2HCMe2+
heterocycle/22.01.2021  Mechanisms of "heterocycle" formation
heterocycle/old/19.01.2021  Formation of "heterocycle": mechanism
hexanitrobenzene/08.12.2014  Рацемизация гексанитробензола
imidazole/08.12.2014  Изомеризация имидазолдиоксида
inversion/08.12.2016  Псевдовращение в циклопентане
inversion/08.12.2016  Инверсия цикла в циклогексане
inversion/08.12.2016  Инверсия цикла в циклобутане
inversion/08.12.2016   Инверсия цикла в катионе C3Me2HCMe2+
inversion/08.12.2016  Инверсия цикла в катионе C3H3CH2+
isocembrol/23.12.2014  Конформационный анализ изоцемброла
ninhydrin/27.06.2016  Conformational analysis of protonated forms of 1,2,3-indantrione
ninhydrin/27.06.2016  Degenerate transformations of diprotonated form 2f
ninhydrin/27.06.2016  Conformational analysis of diprotonated ninhydrin
pentathiepin/09.12.2019  Ring inversion in benzopentathiepin
pentathiepin/09.12.2019  Unimolecular paths for ring inversion in Greer's pentathiepin
pentathiepin/09.12.2019  Ring inversion in pentathiepan
phen-CC/08.12.2014  Rearrangements of ethynyldimethylphenanthrenium cations
phen-CC-Ph/08.12.2014  Conformational analysis of 8b,14b-диметил-8b,14b-дигидробензо[g]хризен-10-илтрифторацетат
phen-CC-Ph/08.12.2014  Cyclization into 8b,14b-диметил-8b,14b-дигидробензо[g]хризен-10-илтрифторацетат-H+
phen-CC-Ph/08.12.2014  Cyclization into 5a,6-dimethyl-4-phenyl-5,6-dihydro-4H-acephenanthrylene-4,6-bis(ylium) dication
phen-CC-Ph/08.12.2014  Rearrangements of 5a,6-dimethyl-4-phenyl-5,6-dihydro-4H-acephenanthrylene-4,6-bis(ylium) dication
phen-CCC/08.12.2014  Rearrangements of 9,9-dimethyl-10-allenyl-phenanthrenium cation
phen-CCC/08.12.2014  Rearrangements of 9,9-dimethyl-10-methylallenyl-phenanthrenium cation
phen-CN/08.12.2014  Перегруппировки 9-циано-9,10-диметилфенантренониевого катиона
phen-CN/08.12.2014  Два пути протонирования предшественника
phen-CN/phenN/08.12.2014  Migration of CN group
phen-cp/08.12.2014  Перегруппировки 9-циклопропил-9,10-диметилфенантренониевого катиона
phen-cp/cp-OAcf/08.12.2014   Конформеры E- и Z-изомеров 3-(10,10-диметил-9,10-дигидрофенантрен-9-илиден)пропил трифторацетата
pinene/08.12.2014  Изомеризация α-пинена в лимонен и рацемизация лимонена
pinene/a/08.12.2014  Изомеризация α-пинена
pmph/08.12.2014  Перегруппировки 4,5,9,9,10-пентаметилфенантренониевого катиона
poly/23.12.2014  PES of protonated 5-methylene-2-norbornene (MNB)
poly/23.12.2014  PES of protonated 5-(E)-ethylene-2-norbornene (E-ENB)
poly/23.12.2014  PES of protonated 5-(Z)-ethylene-2-norbornene (Z-ENB)
poly/23.12.2014  Reactions of MNB with cations A(B), D(E) and F(I)
semibullvalene/24.04.2019  Rzepa's semibullvalene
tBu_loss/20.10.2018  tert-Butyl loss from 1,3,5-tri(tert-butyl)benzene under action of bromine clusters
test/21.03.2018  Title
tmph/08.12.2014  Перегруппировки 9,9,10-триметилфенантренониевого катиона
tmphCl/08.12.2014  Conformational process in 9-chloro-9,10,10-trimethylphenanthrene

Conformational analysis

conformers/09.08.2018  Conformational analysis
12annulene/08.12.2014  Isomers and conformers of [12]annulene (cyclododecahexaene)
1g9w/27.07.2018  Two starategies of conformational analysis of 1g9w
1w96/29.05.2018  Conformational analysis of 1w96 ligand
Ad/08.12.2014  Conformational anlysis of (1R,2R,6S)-6-(3-{[(1R/S)-1-(adamantan-1-yl)ethyl]amino}prop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diols
Andrew/16.05.2011  Conformational anlysis of R- and S-intermediates
Andrew/16.05.2011  Conformational anlysis of Z and E
Andrew/16.05.2011  Conformational anlysis of Z and E
Andrew/16.05.2011  Conformational anlysis and PES of lactone L
Andrew/16.05.2011  Conformational anlysis of 2Z- and 2E- methyl 5-[3-[(4-methoxyphenyl)methyl]-4,5- dioxo-1,3-oxazolidin-2-ylidene]pentanoate
Bushmelev/08.12.2014  Conformers of 9,10-dimethyl-10-(prop-1-yn-1-yl)phenanthren-9-ol and 9-methyl-10-methylidene-9-(prop-1-yn-1-yl)phenanthrene
CHPSAR/07.05.2018  Conformational analysis of CHPSAR
DME/08.12.2014  Conformational analysis of dimethoxyethane Comparision of MM and DFT
Dottie/08.12.2014  Conformers of Dottie's compounds
HEB/08.12.2014  Conformational analysis of hexaethylbenzene
Katya/10.06.2020  Conformers and chemical shifts of Katya's structures
PENB/02.09.2019  Conformers of ENB oligomer (as model of syndiotactic PENB)
PENB/02.09.2019  Conformers of ENB oligomer (as model of isotactic PENB)
POXTRD/06.05.2018  Conformational analysis of POXTRD
Ponomarev/10.08.2017  Конформационный анализ и взаимопревращения конформеров соединения, для которого подозревалось заторможенное вращение
Ponomarev/test/18.08.2017  Energy levels
Rosmaridi/08.12.2014  Conformational analysis of Rosmaridiphenol core
Rosmaridi/08.12.2014  Conformational analysis of Rosmaridiphenol Diacetate
Suslov/08.12.2014  Conformers of N'-[2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ylidene]pyridine-4-carbohydrazide
Suslov/08.12.2014  Some transformations of the conformers
Suslov/Ad/14.11.2016  Conformers of diazaadamantan 13a
Suslov/K1-395/30.08.2018  Conformers of K1-395
Torm/08.12.2014  Racemization of Ar3COH
Torm/08.12.2014  Conformational anlysis of Ar3COH
Torm/08.12.2014  Calculated 1H NMR spectrum (methyl region) of oL (chemical shifts are averaged by all conformers)
Torm/0/08.12.2014  Conformations of ArH
Torm/TrH/08.12.2014  Rotations in triphenylmethane Ph3CH
Torm/cation/08.12.2014  Conformers of tris(2,2,6,6-tetramethylbenzo[1,2-d;4,5-d']bis[1,3]dithiol-4-yl)methyl cation and transition states of "two-ring flip" aryl rotations
Torm/cation/08.12.2014  Energy levels and calculated chemical shifts
Torm/cation/08.12.2014  Protonation of sulphur atoms and disclosure of dithiole ring in conformer "a"
Verticillatriene/26.08.2021  Conformational analysis of 4(20),7,11-Verticillatriene
Zn/08.12.2014  Конформационный анализ и хим.сдвиги ЯМР 1Н (4aR,6S,8S,8aS)-7,7,8a-триметил-2-пиридин-2-илоктагидро-2H-6,8-метано-3,1-бензоксазина
a-b/08.12.2014  Conformational analysis and relative stability of α- and β-carbocations
a-b/A/08.12.2014  
a-b/An/08.12.2014  
a-b/C/08.12.2014  
a-b/CH2Cl/08.12.2014  
a-b/CHCl2/08.12.2014  
a-b/Cl/08.12.2014  
a-b/Et/08.12.2014  
a-b/H/08.12.2014  
a-b/NO2/08.12.2014  
a-b/OH/08.12.2014  
a-b/OMe/08.12.2014  
a-b/P/08.12.2014  
a-b/Phf/08.12.2014  
a-b/PmF/08.12.2014  
a-b/PpCF3/08.12.2014  
a-b/PpCl/08.12.2014  
a-b/PpF/08.12.2014  
a-b/Tl/08.12.2014  
a-b/V/08.12.2014  
a-b/VMe/08.12.2014  
a-b/VcMe/08.12.2014  
a-b/VtMe/08.12.2014  
a-b/c-d/08.12.2014  
a-b/rot/08.12.2014  Rotation of R-group in 10-R-9,9-dimethylphenantrenonium cations
aq6H/08.12.2014  Tautomers of H+(H2O)6
aq6H/08.12.2014  The same by another method
carenes/08.12.2014  Конформационный анализ трициклических бензоксазиновых таутомерных форм XIVа и XIVб
crown/08.12.2014  Crown ethers
crown/12c4/08.12.2014  Conformational analysis of 12-crown-4
crown/15c5/08.12.2014  Conformational analysis of 15-crown-5
crown/15c5-NPh/08.12.2014  Conformational analysis of N-phenylaza-15-crown-5
crown/15c5-NPh/all/08.12.2014  Conformational analysis of N-phenylaza-15-crown-5
cryptands/08.12.2014  Cryptands and their Li+ complexes
cryptands/111/08.12.2014  Conformational analysis of [1.1.1] cryptand
cryptands/111/08.12.2014  Conformational analysis of [Li+⊂ 1.1.1] cryptate
cryptands/111S/08.12.2014  Conformational analysis of thio-[1.1.1] cryptand
cryptands/111S/08.12.2014  Conformational analysis of thio-[Li+⊂ 1.1.1] cryptate
cryptands/210/08.12.2014  Conformational analysis of [2.1.0] cryptand
cryptands/210/08.12.2014  Conformational analysis of [Li+⊂ 2.1.0] cryptate
cryptands/211/08.12.2014  Conformational analysis of 2.1.1-cryptand (4,7,13,18-tetraoxa-1,10-diazabicyclo[8.5.5]icosane)
cryptands/211/08.12.2014  Conformational analysis of 2.1.1-cryptand Li+ complex
curare/08.12.2014  Conformational anlysis of 1,7,7-trimethyl-2-exo-methylethylamino-bicyclo[2.2.1]heptane and rotation of methylethylamino group
curare/08.12.2014  Conformational anlysis of N,1,7,7-tetramethyl-N-{6-[methyl({1,7,7-trimethylbicyclo[2.2.1]heptan-2- yl})amino]hexyl}bicyclo[2.2.1]heptan-2-amine
cycloalkanes/08.12.2014  Conformational analysis of cycloalkanes C7-C12
cycloalkanes/08.12.2014  Conformational analysis of cyclododecane C12H24
dianon/08.12.2014  Conformational analysis of cyclohexanone
dianon/08.12.2014  Conformational analysis of dianon etc.
dianon/08.12.2014  Conformational analysis of dianon condensation products
dianon/08.12.2014  Conformational analysis of dehydratation products
diens/old/08.12.2014  Diens
diens/old1/08.12.2014  Diens
diglyme/08.12.2014  Conformational analysis of diglyme
diols/08.12.2014  "Диол" и продукты его гидрирования
enal/08.12.2014  Conformational analysis and rotation of (1R,2R,5S,8R,10R,13R,14R,19R)-16-cyano-1,2,14,18,18-pentamethyl-17-oxo-8-(3-oxoprop-1-en-2-yl)pentacyclo[11.8.0.02,10.05,9.014,19]henicos-15-ene-5-carboxylate
hydroxyaldehyde/08.12.2014  Конформационный анализ диастереомеров гидроксиальдегида VIII и основания Шиффа Xa
ibuprofen/08.12.2014  Conformational analysis of ibuprofen
isosclerone/08.12.2014  Conformational analysis of isosclerone
lactone/08.12.2014  Conformational anlysis and PES of lactone L
metaldehyde/08.12.2014  Conformational analysis of metaldehyde
paraldehyde/08.12.2014  Conformational analysis of paraldehyde
shern/05.03.2010  Conformational analysis
shern/HydroUsnic/12.07.2011  Conformational of HydroUsnic tautomers
shern/UsnicAurone/16.10.2012  Conformational of Aurone based on Usnic Acid
shern/lactone/07.05.2013  Conformational anlysis and PES of lactone L
shern/ld/22.10.2012  
shern/spiro/20.12.2013  Compound 26. Conformational anlysis of R- and S-intermediates
shern/spiro/20.12.2013  Compound 31. Conformational anlysis of Z and E
shern/spiro/20.12.2013  Kinetik investigation of reaction oxalyl chloride with 19
shern/spiro/20.12.2013  Conformational anlysis of 2Z- and 2E- methyl 5-[3-[(4-methoxyphenyl)methyl]-4,5- dioxo-1,3-oxazolidin-2-ylidene]pentanoate
shern/spiroimidazol/18.12.2013  Conformational analysis of 3-(4-hydroxyphenyl)-2,2-dimethyl-1,4-diazaspiro[4.5]dec-3-en-1-ol
silapiperidine/08.12.2014  Conformational analysis and PES of 1,3-dimethyl-3-silapiperidine
silapiperidine/08.12.2014  PES of cycle inversion of 1-methylsilinane
silapiperidine/08.12.2014  PES of cycle inversion of 1,1,3-trimethyl-1,3-azasilinan-1-ium
tentoxin/26.08.2021  Conformational analysis of tentoxin